Browse Result of Experimentally Verified Mdm2/P53 (622)

Record No:1


DB_ACCESS_NUMBERPPIM0001
CID656933
CHEMBL_IDCHEMBL361103
NSC_ID
PDB_CODE1T4E
Molecular Weight (g/mol)581.18
XLogP3-AA5.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity725
Topological Polar Surface Area (A^2)86.7
Heavy Atom Count32
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)200
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (Improving the production of influenza viruses and vaccine seeds and also an inhibitor of the in
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID17427181
Protein-Protein Interaction Modulator SVM score1.1736571
Predicted Log 10(IC50) values2.6896732
2D Structure


Record No:2


DB_ACCESS_NUMBERPPIM0002
CID637760
CHEMBL_IDCHEMBL7976
NSC_IDNSC4523
PDB_CODE
Molecular Weight (g/mol)208.26
XLogP3-AA3.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Complexity242
Topological Polar Surface Area (A^2)17.1
Heavy Atom Count16
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1700
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (Antibacterial, antifungal, antitumor and anti-inflammatory properties)
Off TargetsAlkaline phosphatase; Abhydrolase domain containing 5 (ABHD5) with perilipin-1 (PLIN1) ; Guanine nuc
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID17427181
Protein-Protein Interaction Modulator SVM score-0.47087886
Predicted Log 10(IC50) values4.557014
2D Structure


Record No:3


DB_ACCESS_NUMBERPPIM0003
CID46700806
CHEMBL_IDCHEMBL1094278
NSC_IDNSC749793
PDB_CODE
Molecular Weight (g/mol)225.38
XLogP3-AA1.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Complexity128
Topological Polar Surface Area (A^2)106
Heavy Atom Count12
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)300
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsALDH1-BCA2
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20222671
Protein-Protein Interaction Modulator SVM score0.99881215
Predicted Log 10(IC50) values2.7597162
2D Structure


Record No:4


DB_ACCESS_NUMBERPPIM0004
CID46700805
CHEMBL_IDCHEMBL1097571
NSC_IDNSC749792
PDB_CODE
Molecular Weight (g/mol)265.49
XLogP3-AA4.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Complexity158
Topological Polar Surface Area (A^2)85.9
Heavy Atom Count15
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)230
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsALDH1A1-BCA2
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20222671
Protein-Protein Interaction Modulator SVM score1.0003715
Predicted Log 10(IC50) values3.6835456
2D Structure


Record No:5


DB_ACCESS_NUMBERPPIM0005
CID7188
CHEMBL_IDCHEMBL121516
NSC_IDNSC527035
PDB_CODE
Molecular Weight (g/mol)320.54
XLogP3-AA3.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Complexity267
Topological Polar Surface Area (A^2)121
Heavy Atom Count18
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)30
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (used as a standardized Chemical Allergen and The physiologic effect of dipentamethylenethiuram
Off TargetsAndrogen receptor (AR); estrogen receptor alpha (ER-alpha);peroxisome proliferator-activated recept
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20222671
Protein-Protein Interaction Modulator SVM score0.99960096
Predicted Log 10(IC50) values3.378071
2D Structure


Record No:6


DB_ACCESS_NUMBERPPIM0006
CID44825260
CHEMBL_IDCHEMBL1233798
NSC_ID
PDB_CODE3LBK
Molecular Weight (g/mol)462.33
XLogP3-AA6.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Complexity653
Topological Polar Surface Area (A^2)70.9
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (Substituted Heterocycles as Therapeutic agents for treating cancer)
Off TargetsMdmx
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22789708
Protein-Protein Interaction Modulator SVM score1.0082886
Predicted Log 10(IC50) values2.8872132
2D Structure


Record No:7


DB_ACCESS_NUMBERPPIM0007
CID49867311
CHEMBL_IDCHEMBL1234332
NSC_ID
PDB_CODE3LBL
Molecular Weight (g/mol)577.52
XLogP3-AA4.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Complexity900
Topological Polar Surface Area (A^2)82.7
Heavy Atom Count39
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)190
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22789708
Protein-Protein Interaction Modulator SVM score1.303682
Predicted Log 10(IC50) values1.9521569
2D Structure


Record No:8


DB_ACCESS_NUMBERPPIM0008
CID24969086
CHEMBL_IDCHEMBL1236726
NSC_ID
PDB_CODE
Molecular Weight (g/mol)629.63
XLogP3-AA6.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Complexity927
Topological Polar Surface Area (A^2)60.4
Heavy Atom Count44
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)190
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsMdmx
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID24751445
Protein-Protein Interaction Modulator SVM score-0.33884582
Predicted Log 10(IC50) values2.7050095
2D Structure


Record No:9


DB_ACCESS_NUMBERPPIM0009
CID52941444
CHEMBL_IDCHEMBL1256047
NSC_ID
PDB_CODE
Molecular Weight (g/mol)871.08
XLogP3-AA7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Complexity1480
Topological Polar Surface Area (A^2)216
Heavy Atom Count63
Defined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20638853
Protein-Protein Interaction Modulator SVM score0.99901666
Predicted Log 10(IC50) values2.9193385
2D Structure


Record No:10


DB_ACCESS_NUMBERPPIM0010
CID52946294
CHEMBL_IDCHEMBL1256056
NSC_ID
PDB_CODE
Molecular Weight (g/mol)711.30
XLogP3-AA
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Complexity1130
Topological Polar Surface Area (A^2)197
Heavy Atom Count50
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Experimentally verified IC50 values (nM)463000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20638853
Protein-Protein Interaction Modulator SVM score1.0385888
Predicted Log 10(IC50) values1.542992
2D Structure


Record No:11


DB_ACCESS_NUMBERPPIM0011
CID52941446
CHEMBL_IDCHEMBL1256057
NSC_ID
PDB_CODE
Molecular Weight (g/mol)708.86
XLogP3-AA3.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Complexity1180
Topological Polar Surface Area (A^2)197
Heavy Atom Count52
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20638853
Protein-Protein Interaction Modulator SVM score0.99902717
Predicted Log 10(IC50) values0.86338563
2D Structure


Record No:12


DB_ACCESS_NUMBERPPIM0012
CID52943866
CHEMBL_IDCHEMBL1256058
NSC_ID
PDB_CODE
Molecular Weight (g/mol)666.82
XLogP3-AA3.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Complexity1100
Topological Polar Surface Area (A^2)197
Heavy Atom Count49
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20638853
Protein-Protein Interaction Modulator SVM score0.99959732
Predicted Log 10(IC50) values1.1611493
2D Structure


Record No:13


DB_ACCESS_NUMBERPPIM0013
CID52949944
CHEMBL_IDCHEMBL1256059
NSC_ID
PDB_CODE
Molecular Weight (g/mol)680.85
XLogP3-AA3.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Complexity1140
Topological Polar Surface Area (A^2)197
Heavy Atom Count50
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20638853
Protein-Protein Interaction Modulator SVM score1.168493
Predicted Log 10(IC50) values1.2017006
2D Structure


Record No:14


DB_ACCESS_NUMBERPPIM0014
CID52948744
CHEMBL_IDCHEMBL1256060
NSC_ID
PDB_CODE
Molecular Weight (g/mol)714.87
XLogP3-AA3.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count5
Rotatable Bond Count18
Complexity1190
Topological Polar Surface Area (A^2)197
Heavy Atom Count53
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20638853
Protein-Protein Interaction Modulator SVM score1.2611294
Predicted Log 10(IC50) values0.72362206
2D Structure


Record No:15


DB_ACCESS_NUMBERPPIM0015
CID52941447
CHEMBL_IDCHEMBL1256061
NSC_ID
PDB_CODE
Molecular Weight (g/mol)696.85
XLogP3-AA3.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count19
Complexity1140
Topological Polar Surface Area (A^2)206
Heavy Atom Count51
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20638853
Protein-Protein Interaction Modulator SVM score2.1323087
Predicted Log 10(IC50) values1.6786999
2D Structure


Record No:16


DB_ACCESS_NUMBERPPIM0016
CID52949945
CHEMBL_IDCHEMBL1256062
NSC_ID
PDB_CODE
Molecular Weight (g/mol)696.85
XLogP3-AA3.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count18
Complexity1160
Topological Polar Surface Area (A^2)206
Heavy Atom Count51
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)307000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20638853
Protein-Protein Interaction Modulator SVM score1.7629838
Predicted Log 10(IC50) values1.4924898
2D Structure


Record No:17


DB_ACCESS_NUMBERPPIM0017
CID52943867
CHEMBL_IDCHEMBL1256064
NSC_ID
PDB_CODE
Molecular Weight (g/mol)662.83
XLogP3-AA3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Complexity1110
Topological Polar Surface Area (A^2)206
Heavy Atom Count48
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)339000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20638853
Protein-Protein Interaction Modulator SVM score1.4760306
Predicted Log 10(IC50) values1.639065
2D Structure


Record No:18


DB_ACCESS_NUMBERPPIM0018
CID52945083
CHEMBL_IDCHEMBL1256067
NSC_ID
PDB_CODE
Molecular Weight (g/mol)662.83
XLogP3-AA3.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count18
Complexity1080
Topological Polar Surface Area (A^2)206
Heavy Atom Count48
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)300000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20638853
Protein-Protein Interaction Modulator SVM score0.71963455
Predicted Log 10(IC50) values1.5173317
2D Structure


Record No:19


DB_ACCESS_NUMBERPPIM0019
CID52949947
CHEMBL_IDCHEMBL1256068
NSC_ID
PDB_CODE
Molecular Weight (g/mol)632.81
XLogP3-AA2.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Complexity1050
Topological Polar Surface Area (A^2)197
Heavy Atom Count46
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20638853
Protein-Protein Interaction Modulator SVM score-2.3381888
Predicted Log 10(IC50) values1.4147921
2D Structure


Record No:20


DB_ACCESS_NUMBERPPIM0020
CID52949948
CHEMBL_IDCHEMBL1256069
NSC_ID
PDB_CODE
Molecular Weight (g/mol)646.83
XLogP3-AA3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Complexity1090
Topological Polar Surface Area (A^2)197
Heavy Atom Count47
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20638853
Protein-Protein Interaction Modulator SVM score0.20393294
Predicted Log 10(IC50) values1.2490582
2D Structure


Record No:21


DB_ACCESS_NUMBERPPIM0021
CID52948745
CHEMBL_IDCHEMBL1256070
NSC_ID
PDB_CODE
Molecular Weight (g/mol)680.85
XLogP3-AA3.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Complexity1140
Topological Polar Surface Area (A^2)197
Heavy Atom Count50
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20638853
Protein-Protein Interaction Modulator SVM score1.1857904
Predicted Log 10(IC50) values1.2012696
2D Structure


Record No:22


DB_ACCESS_NUMBERPPIM0022
CID52946296
CHEMBL_IDCHEMBL1256071
NSC_ID
PDB_CODE
Molecular Weight (g/mol)730.87
XLogP3-AA4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count19
Complexity1210
Topological Polar Surface Area (A^2)206
Heavy Atom Count54
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsMDMX
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20638853
Protein-Protein Interaction Modulator SVM score2.0295712
Predicted Log 10(IC50) values0.72916498
2D Structure


Record No:23


DB_ACCESS_NUMBERPPIM0023
CID52945084
CHEMBL_IDCHEMBL1256073
NSC_ID
PDB_CODE
Molecular Weight (g/mol)757.92
XLogP3-AA6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Complexity1240
Topological Polar Surface Area (A^2)186
Heavy Atom Count55
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID20638853
Protein-Protein Interaction Modulator SVM score0.99474115
Predicted Log 10(IC50) values-0.14952915
2D Structure


Record No:24


DB_ACCESS_NUMBERPPIM0024
CID179269
CHEMBL_IDCHEMBL151233
NSC_ID
PDB_CODE
Molecular Weight (g/mol)339.51
XLogP3-AA2.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Complexity260
Topological Polar Surface Area (A^2)171
Heavy Atom Count18
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID18977148
Protein-Protein Interaction Modulator SVM score2.7707152
Predicted Log 10(IC50) values3.0615533
2D Structure


Record No:25


DB_ACCESS_NUMBERPPIM0025
CID51349561
CHEMBL_IDCHEMBL1688136
NSC_ID
PDB_CODE
Molecular Weight (g/mol)301.77
XLogP3-AA3.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Complexity394
Topological Polar Surface Area (A^2)40.5
Heavy Atom Count21
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)69000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.072080262
Predicted Log 10(IC50) values3.8605631
2D Structure


Record No:26


DB_ACCESS_NUMBERPPIM0026
CID3608080
CHEMBL_IDCHEMBL1688137
NSC_ID
PDB_CODE
Molecular Weight (g/mol)349.81
XLogP3-AA4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Complexity484
Topological Polar Surface Area (A^2)40.5
Heavy Atom Count25
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)74000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.2089365
Predicted Log 10(IC50) values3.2092999
2D Structure


Record No:27


DB_ACCESS_NUMBERPPIM0027
CID51349562
CHEMBL_IDCHEMBL1688138
NSC_ID
PDB_CODE
Molecular Weight (g/mol)367.80
XLogP3-AA4.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity516
Topological Polar Surface Area (A^2)40.5
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)20000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.765736
Predicted Log 10(IC50) values3.1906638
2D Structure


Record No:28


DB_ACCESS_NUMBERPPIM0028
CID51349563
CHEMBL_IDCHEMBL1688139
NSC_ID
PDB_CODE
Molecular Weight (g/mol)384.25
XLogP3-AA4.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Complexity514
Topological Polar Surface Area (A^2)40.5
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)4200
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.8145519
Predicted Log 10(IC50) values2.9465144
2D Structure


Record No:29


DB_ACCESS_NUMBERPPIM0029
CID51349698
CHEMBL_IDCHEMBL1688140
NSC_ID
PDB_CODE
Molecular Weight (g/mol)428.71
XLogP3-AA4.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Complexity516
Topological Polar Surface Area (A^2)40.5
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)4500
Target Protein-protein Interaction complexMdm2/P53
Clinical Application
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.0001225
Predicted Log 10(IC50) values3.2369932
2D Structure


Record No:30


DB_ACCESS_NUMBERPPIM0030
CID51349699
CHEMBL_IDCHEMBL1688141
NSC_ID
PDB_CODE
Molecular Weight (g/mol)475.71
XLogP3-AA4.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Complexity516
Topological Polar Surface Area (A^2)40.5
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)20000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score-0.32336503
Predicted Log 10(IC50) values4.5443939
2D Structure


Record No:31


DB_ACCESS_NUMBERPPIM0031
CID51349700
CHEMBL_IDCHEMBL1688142
NSC_ID
PDB_CODE
Molecular Weight (g/mol)363.84
XLogP3-AA4.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Complexity510
Topological Polar Surface Area (A^2)40.5
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)15000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.6161952
Predicted Log 10(IC50) values3.1844531
2D Structure


Record No:32


DB_ACCESS_NUMBERPPIM0032
CID51349701
CHEMBL_IDCHEMBL1688143
NSC_ID
PDB_CODE
Molecular Weight (g/mol)374.82
XLogP3-AA3.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity601
Topological Polar Surface Area (A^2)64.3
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)6000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.7706334
Predicted Log 10(IC50) values4.5535573
2D Structure


Record No:33


DB_ACCESS_NUMBERPPIM0033
CID51349702
CHEMBL_IDCHEMBL1688144
NSC_ID
PDB_CODE
Molecular Weight (g/mol)360.36
XLogP3-AA3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Complexity563
Topological Polar Surface Area (A^2)86.4
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)87000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.48705926
Predicted Log 10(IC50) values4.2605426
2D Structure


Record No:34


DB_ACCESS_NUMBERPPIM0034
CID51349703
CHEMBL_IDCHEMBL1688145
NSC_ID
PDB_CODE
Molecular Weight (g/mol)378.35
XLogP3-AA3.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Complexity596
Topological Polar Surface Area (A^2)86.4
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)9460
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.0918278
Predicted Log 10(IC50) values4.2999957
2D Structure


Record No:35


DB_ACCESS_NUMBERPPIM0035
CID51349704
CHEMBL_IDCHEMBL1688146
NSC_ID
PDB_CODE
Molecular Weight (g/mol)394.81
XLogP3-AA3.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Complexity596
Topological Polar Surface Area (A^2)86.4
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2400
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.0000573
Predicted Log 10(IC50) values3.6112689
2D Structure


Record No:36


DB_ACCESS_NUMBERPPIM0036
CID51349834
CHEMBL_IDCHEMBL1688147
NSC_ID
PDB_CODE
Molecular Weight (g/mol)439.26
XLogP3-AA3.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Complexity596
Topological Polar Surface Area (A^2)86.4
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3100
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.58934417
Predicted Log 10(IC50) values2.6519768
2D Structure


Record No:37


DB_ACCESS_NUMBERPPIM0037
CID51349835
CHEMBL_IDCHEMBL1688148
NSC_ID
PDB_CODE
Molecular Weight (g/mol)394.81
XLogP3-AA3.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Complexity604
Topological Polar Surface Area (A^2)86.4
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)54000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.146095
Predicted Log 10(IC50) values3.8087097
2D Structure


Record No:38


DB_ACCESS_NUMBERPPIM0038
CID51349836
CHEMBL_IDCHEMBL1688149
NSC_ID
PDB_CODE
Molecular Weight (g/mol)363.84
XLogP3-AA4.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Complexity498
Topological Polar Surface Area (A^2)40.5
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)7200
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(pharmaceutical substance for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.4266367
Predicted Log 10(IC50) values3.0852945
2D Structure


Record No:39


DB_ACCESS_NUMBERPPIM0039
CID51349837
CHEMBL_IDCHEMBL1688150
NSC_ID
PDB_CODE
Molecular Weight (g/mol)408.83
XLogP3-AA4.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity610
Topological Polar Surface Area (A^2)86.4
Heavy Atom Count29
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)6200
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer & Also treatment for diabetes).
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.017168
Predicted Log 10(IC50) values3.491536
2D Structure


Record No:40


DB_ACCESS_NUMBERPPIM0040
CID51349838
CHEMBL_IDCHEMBL1688151
NSC_ID
PDB_CODE
Molecular Weight (g/mol)378.85
XLogP3-AA3.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity528
Topological Polar Surface Area (A^2)66.6
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)6200
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.79499265
Predicted Log 10(IC50) values2.5792265
2D Structure


Record No:41


DB_ACCESS_NUMBERPPIM0041
CID51349839
CHEMBL_IDCHEMBL1688152
NSC_ID
PDB_CODE
Molecular Weight (g/mol)399.87
XLogP3-AA5.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Complexity604
Topological Polar Surface Area (A^2)40.5
Heavy Atom Count29
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)47000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.000146
Predicted Log 10(IC50) values3.8829658
2D Structure


Record No:42


DB_ACCESS_NUMBERPPIM0042
CID51349840
CHEMBL_IDCHEMBL1688153
NSC_ID
PDB_CODE
Molecular Weight (g/mol)428.71
XLogP3-AA4.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Complexity524
Topological Polar Surface Area (A^2)40.5
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.1903918
Predicted Log 10(IC50) values3.1827272
2D Structure


Record No:43


DB_ACCESS_NUMBERPPIM0043
CID51349971
CHEMBL_IDCHEMBL1688154
NSC_ID
PDB_CODE
Molecular Weight (g/mol)395.90
XLogP3-AA4.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity530
Topological Polar Surface Area (A^2)65.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)20000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.60766401
Predicted Log 10(IC50) values2.3290213
2D Structure


Record No:44


DB_ACCESS_NUMBERPPIM0044
CID51349972
CHEMBL_IDCHEMBL1688155
NSC_ID
PDB_CODE
Molecular Weight (g/mol)411.9
XLogP3-AA3.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity601
Topological Polar Surface Area (A^2)76.8
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.4308489
Predicted Log 10(IC50) values3.3648552
2D Structure


Record No:45


DB_ACCESS_NUMBERPPIM0045
CID51349973
CHEMBL_IDCHEMBL1688156
NSC_ID
PDB_CODE
Molecular Weight (g/mol)427.89
XLogP3-AA3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity707
Topological Polar Surface Area (A^2)83.1
Heavy Atom Count29
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.6776929
Predicted Log 10(IC50) values5.2910218
2D Structure


Record No:46


DB_ACCESS_NUMBERPPIM0046
CID51349974
CHEMBL_IDCHEMBL1688157
NSC_ID
PDB_CODE
Molecular Weight (g/mol)428.88
XLogP3-AA2.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Complexity711
Topological Polar Surface Area (A^2)109
Heavy Atom Count29
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.79155448
Predicted Log 10(IC50) values4.6884195
2D Structure


Record No:47


DB_ACCESS_NUMBERPPIM0047
CID51349975
CHEMBL_IDCHEMBL1688158
NSC_ID
PDB_CODE
Molecular Weight (g/mol)417.81
XLogP3-AA4.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Complexity599
Topological Polar Surface Area (A^2)40.5
Heavy Atom Count29
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.0508984
Predicted Log 10(IC50) values3.5036294
2D Structure


Record No:48


DB_ACCESS_NUMBERPPIM0048
CID51349976
CHEMBL_IDCHEMBL1688159
NSC_ID
PDB_CODE
Molecular Weight (g/mol)407.85
XLogP3-AA3.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Complexity612
Topological Polar Surface Area (A^2)66.8
Heavy Atom Count29
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)11000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.5319595
Predicted Log 10(IC50) values3.8897193
2D Structure


Record No:49


DB_ACCESS_NUMBERPPIM0049
CID51350114
CHEMBL_IDCHEMBL1688160
NSC_ID
PDB_CODE
Molecular Weight (g/mol)393.82
XLogP3-AA3.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity597
Topological Polar Surface Area (A^2)77.8
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.4019136
Predicted Log 10(IC50) values3.7618635
2D Structure


Record No:50


DB_ACCESS_NUMBERPPIM0050
CID51350115
CHEMBL_IDCHEMBL1688161
NSC_ID
PDB_CODE
Molecular Weight (g/mol)391.85
XLogP3-AA3.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity595
Topological Polar Surface Area (A^2)57.6
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)88000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.705789
Predicted Log 10(IC50) values3.8675495
2D Structure


Record No:51


DB_ACCESS_NUMBERPPIM0051
CID51350116
CHEMBL_IDCHEMBL1688162
NSC_ID
PDB_CODE
Molecular Weight (g/mol)453.92
XLogP3-AA5.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Complexity706
Topological Polar Surface Area (A^2)57.6
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)20000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.1562482
Predicted Log 10(IC50) values4.6089521
2D Structure


Record No:52


DB_ACCESS_NUMBERPPIM0052
CID51350117
CHEMBL_IDCHEMBL1688163
NSC_ID
PDB_CODE
Molecular Weight (g/mol)350.80
XLogP3-AA2.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity488
Topological Polar Surface Area (A^2)53.4
Heavy Atom Count25
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)20000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.3450629
Predicted Log 10(IC50) values2.8051448
2D Structure


Record No:53


DB_ACCESS_NUMBERPPIM0053
CID51350118
CHEMBL_IDCHEMBL1688164
NSC_ID
PDB_CODE
Molecular Weight (g/mol)350.80
XLogP3-AA2.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity494
Topological Polar Surface Area (A^2)53.4
Heavy Atom Count25
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)200000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.4131181
Predicted Log 10(IC50) values2.846895
2D Structure


Record No:54


DB_ACCESS_NUMBERPPIM0054
CID51350119
CHEMBL_IDCHEMBL1688165
NSC_ID
PDB_CODE
Molecular Weight (g/mol)350.80
XLogP3-AA3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity494
Topological Polar Surface Area (A^2)53.4
Heavy Atom Count25
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)200000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.4044794
Predicted Log 10(IC50) values2.8462635
2D Structure


Record No:55


DB_ACCESS_NUMBERPPIM0055
CID51350120
CHEMBL_IDCHEMBL1688166
NSC_ID
PDB_CODE
Molecular Weight (g/mol)366.80
XLogP3-AA1.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity517
Topological Polar Surface Area (A^2)66
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)200000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.019465
Predicted Log 10(IC50) values2.6555131
2D Structure


Record No:56


DB_ACCESS_NUMBERPPIM0056
CID51350252
CHEMBL_IDCHEMBL1688167
NSC_ID
PDB_CODE
Molecular Weight (g/mol)366.80
XLogP3-AA1.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity525
Topological Polar Surface Area (A^2)66
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)200000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.1674691
Predicted Log 10(IC50) values2.8552917
2D Structure


Record No:57


DB_ACCESS_NUMBERPPIM0057
CID51350253
CHEMBL_IDCHEMBL1688168
NSC_ID
PDB_CODE
Molecular Weight (g/mol)366.80
XLogP3-AA2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity525
Topological Polar Surface Area (A^2)66
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)200000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.1583505
Predicted Log 10(IC50) values2.8538119
2D Structure


Record No:58


DB_ACCESS_NUMBERPPIM0058
CID53318463
CHEMBL_IDCHEMBL1688169
NSC_ID
PDB_CODE
Molecular Weight (g/mol)369.43
XLogP3-AA3.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Complexity536
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)20000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.7031127
Predicted Log 10(IC50) values3.2556787
2D Structure


Record No:59


DB_ACCESS_NUMBERPPIM0059
CID11502965
CHEMBL_IDCHEMBL1688170
NSC_ID
PDB_CODE
Molecular Weight (g/mol)433.93
XLogP3-AA4.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Complexity630
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count31
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.0649762
Predicted Log 10(IC50) values4.1474197
2D Structure


Record No:60


DB_ACCESS_NUMBERPPIM0060
CID11591070
CHEMBL_IDCHEMBL1688251
NSC_ID
PDB_CODE
Molecular Weight (g/mol)478.92
XLogP3-AA4.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity746
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count34
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)700
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.2482423
Predicted Log 10(IC50) values4.2176187
2D Structure


Record No:61


DB_ACCESS_NUMBERPPIM0061
CID53318519
CHEMBL_IDCHEMBL1688252
NSC_ID
PDB_CODE
Molecular Weight (g/mol)478.92
XLogP3-AA4.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity746
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count34
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)400
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.2644696
Predicted Log 10(IC50) values4.0376853
2D Structure


Record No:62


DB_ACCESS_NUMBERPPIM0062
CID53322938
CHEMBL_IDCHEMBL1688253
NSC_ID
PDB_CODE
Molecular Weight (g/mol)458.94
XLogP3-AA4.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Complexity752
Topological Polar Surface Area (A^2)73.6
Heavy Atom Count33
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2300
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.2674509
Predicted Log 10(IC50) values3.9144382
2D Structure


Record No:63


DB_ACCESS_NUMBERPPIM0063
CID44595458
CHEMBL_IDCHEMBL1688254
NSC_ID
PDB_CODE
Molecular Weight (g/mol)431.91
XLogP3-AA4.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Complexity670
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count31
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2300
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.0510125
Predicted Log 10(IC50) values5.2777624
2D Structure


Record No:64


DB_ACCESS_NUMBERPPIM0064
CID44595318
CHEMBL_IDCHEMBL1688255
NSC_ID
PDB_CODE
Molecular Weight (g/mol)466.35
XLogP3-AA5.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Complexity701
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count32
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.2524758
Predicted Log 10(IC50) values3.8997111
2D Structure


Record No:65


DB_ACCESS_NUMBERPPIM0065
CID44595320
CHEMBL_IDCHEMBL1688256
NSC_ID
PDB_CODE
Molecular Weight (g/mol)445.94
XLogP3-AA4.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Complexity697
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count32
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1400
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.1444925
Predicted Log 10(IC50) values4.8870386
2D Structure


Record No:66


DB_ACCESS_NUMBERPPIM0066
CID44594120
CHEMBL_IDCHEMBL1688257
NSC_ID
PDB_CODE
Molecular Weight (g/mol)476.91
XLogP3-AA4.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity787
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count34
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1400
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.3820606
Predicted Log 10(IC50) values3.2774142
2D Structure


Record No:67


DB_ACCESS_NUMBERPPIM0067
CID44595462
CHEMBL_IDCHEMBL1688258
NSC_ID
PDB_CODE
Molecular Weight (g/mol)464.90
XLogP3-AA4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity712
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)402
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.81734576
Predicted Log 10(IC50) values4.0867566
2D Structure


Record No:68


DB_ACCESS_NUMBERPPIM0068
CID25227971
CHEMBL_IDCHEMBL1688259
NSC_ID
PDB_CODE
Molecular Weight (g/mol)452.89
XLogP3-AA4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity657
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)450
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.45907176
Predicted Log 10(IC50) values3.0597002
2D Structure


Record No:69


DB_ACCESS_NUMBERPPIM0069
CID25227848
CHEMBL_IDCHEMBL1688260
NSC_ID
PDB_CODE
Molecular Weight (g/mol)466.91
XLogP3-AA4.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Complexity672
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)360
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.25061559
Predicted Log 10(IC50) values2.6671463
2D Structure


Record No:70


DB_ACCESS_NUMBERPPIM0070
CID44595461
CHEMBL_IDCHEMBL1688261
NSC_ID
PDB_CODE
Molecular Weight (g/mol)446.93
XLogP3-AA4.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity678
Topological Polar Surface Area (A^2)73.6
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.99950948
Predicted Log 10(IC50) values4.5260392
2D Structure


Record No:71


DB_ACCESS_NUMBERPPIM0071
CID51350512
CHEMBL_IDCHEMBL1688262
NSC_ID
PDB_CODE
Molecular Weight (g/mol)470.39
XLogP3-AA5.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Complexity618
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count32
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)869
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.849389
Predicted Log 10(IC50) values2.9020718
2D Structure


Record No:72


DB_ACCESS_NUMBERPPIM0072
CID44595460
CHEMBL_IDCHEMBL1688263
NSC_ID
PDB_CODE
Molecular Weight (g/mol)470.39
XLogP3-AA5.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Complexity618
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count32
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.849389
Predicted Log 10(IC50) values2.9020718
2D Structure


Record No:73


DB_ACCESS_NUMBERPPIM0073
CID44595459
CHEMBL_IDCHEMBL1688264
NSC_ID
PDB_CODE
Molecular Weight (g/mol)480.94
XLogP3-AA4.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity687
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count34
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3200
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.015384035
Predicted Log 10(IC50) values2.3667347
2D Structure


Record No:74


DB_ACCESS_NUMBERPPIM0074
CID51350513
CHEMBL_IDCHEMBL1688265
NSC_ID
PDB_CODE
Molecular Weight (g/mol)497.34
XLogP3-AA4.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity657
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1400
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.10756239
Predicted Log 10(IC50) values0.40285933
2D Structure


Record No:75


DB_ACCESS_NUMBERPPIM0075
CID51350514
CHEMBL_IDCHEMBL1688266
NSC_ID
PDB_CODE
Molecular Weight (g/mol)511.37
XLogP3-AA4.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Complexity672
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)570
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score-0.16148092
Predicted Log 10(IC50) values0.0839374
2D Structure


Record No:76


DB_ACCESS_NUMBERPPIM0076
CID51350515
CHEMBL_IDCHEMBL1688267
NSC_ID
PDB_CODE
Molecular Weight (g/mol)514.96
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity784
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count37
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)980
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.94233277
Predicted Log 10(IC50) values3.9721113
2D Structure


Record No:77


DB_ACCESS_NUMBERPPIM0077
CID51350516
CHEMBL_IDCHEMBL1688268
NSC_ID
PDB_CODE
Molecular Weight (g/mol)521.01
XLogP3-AA5.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity784
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count37
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)580
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.85403446
Predicted Log 10(IC50) values4.0742075
2D Structure


Record No:78


DB_ACCESS_NUMBERPPIM0078
CID51350650
CHEMBL_IDCHEMBL1688269
NSC_ID
PDB_CODE
Molecular Weight (g/mol)514.96
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity792
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count37
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)730
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.99880067
Predicted Log 10(IC50) values3.7271587
2D Structure


Record No:79


DB_ACCESS_NUMBERPPIM0079
CID44595463
CHEMBL_IDCHEMBL1688270
NSC_ID
PDB_CODE
Molecular Weight (g/mol)521.01
XLogP3-AA5.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity782
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count37
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)380
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.9189064
Predicted Log 10(IC50) values4.2195115
2D Structure


Record No:80


DB_ACCESS_NUMBERPPIM0080
CID44595606
CHEMBL_IDCHEMBL1688271
NSC_ID
PDB_CODE
Molecular Weight (g/mol)462.88
XLogP3-AA3.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity773
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)660
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.4172719
Predicted Log 10(IC50) values3.6514273
2D Structure


Record No:81


DB_ACCESS_NUMBERPPIM0081
CID51350651
CHEMBL_IDCHEMBL1688272
NSC_ID
PDB_CODE
Molecular Weight (g/mol)521.01
XLogP3-AA5.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity792
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count37
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)569
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.95673022
Predicted Log 10(IC50) values3.6017565
2D Structure


Record No:82


DB_ACCESS_NUMBERPPIM0082
CID44595605
CHEMBL_IDCHEMBL1688273
NSC_ID
PDB_CODE
Molecular Weight (g/mol)480.94
XLogP3-AA4.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity727
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count34
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)395
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.79759588
Predicted Log 10(IC50) values3.9755155
2D Structure


Record No:83


DB_ACCESS_NUMBERPPIM0083
CID53318520
CHEMBL_IDCHEMBL1688274
NSC_ID
PDB_CODE
Molecular Weight (g/mol)478.92
XLogP3-AA4.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity755
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count34
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)225
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.2233814
Predicted Log 10(IC50) values4.088663
2D Structure


Record No:84


DB_ACCESS_NUMBERPPIM0084
CID51350652
CHEMBL_IDCHEMBL1688275
NSC_ID
PDB_CODE
Molecular Weight (g/mol)492.95
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity753
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count35
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)390
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.1538107
Predicted Log 10(IC50) values4.2597174
2D Structure


Record No:85


DB_ACCESS_NUMBERPPIM0085
CID51350653
CHEMBL_IDCHEMBL1688276
NSC_ID
PDB_CODE
Molecular Weight (g/mol)490.94
XLogP3-AA4.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity802
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count35
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)306
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.3958792
Predicted Log 10(IC50) values3.0598491
2D Structure


Record No:86


DB_ACCESS_NUMBERPPIM0086
CID51350782
CHEMBL_IDCHEMBL1688277
NSC_ID
PDB_CODE
Molecular Weight (g/mol)458.94
XLogP3-AA4.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity761
Topological Polar Surface Area (A^2)73.6
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1800
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.0701397
Predicted Log 10(IC50) values3.8299153
2D Structure


Record No:87


DB_ACCESS_NUMBERPPIM0087
CID51350783
CHEMBL_IDCHEMBL1688278
NSC_ID
PDB_CODE
Molecular Weight (g/mol)451.92
XLogP3-AA4.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity672
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2600
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.99876299
Predicted Log 10(IC50) values4.5039004
2D Structure


Record No:88


DB_ACCESS_NUMBERPPIM0088
CID51350784
CHEMBL_IDCHEMBL1688279
NSC_ID
PDB_CODE
Molecular Weight (g/mol)468.37
XLogP3-AA5.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Complexity670
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2300
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.99637809
Predicted Log 10(IC50) values3.4041116
2D Structure


Record No:89


DB_ACCESS_NUMBERPPIM0089
CID51350785
CHEMBL_IDCHEMBL1688280
NSC_ID
PDB_CODE
Molecular Weight (g/mol)512.82
XLogP3-AA5.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Complexity672
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1200
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.99888522
Predicted Log 10(IC50) values0.63369168
2D Structure


Record No:90


DB_ACCESS_NUMBERPPIM0090
CID51350786
CHEMBL_IDCHEMBL1688281
NSC_ID
PDB_CODE
Molecular Weight (g/mol)559.82
XLogP3-AA5.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Complexity672
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.1669089
Predicted Log 10(IC50) values0.26461392
2D Structure


Record No:91


DB_ACCESS_NUMBERPPIM0091
CID51350787
CHEMBL_IDCHEMBL1688282
NSC_ID
PDB_CODE
Molecular Weight (g/mol)447.95
XLogP3-AA4.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Complexity666
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2300
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.95071821
Predicted Log 10(IC50) values4.6090501
2D Structure


Record No:92


DB_ACCESS_NUMBERPPIM0092
CID51350892
CHEMBL_IDCHEMBL1688283
NSC_ID
PDB_CODE
Molecular Weight (g/mol)463.95
XLogP3-AA4.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity684
Topological Polar Surface Area (A^2)59
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2800
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.90954473
Predicted Log 10(IC50) values3.8331821
2D Structure


Record No:93


DB_ACCESS_NUMBERPPIM0093
CID51350894
CHEMBL_IDCHEMBL1688284
NSC_ID
PDB_CODE
Molecular Weight (g/mol)482.40
XLogP3-AA5.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Complexity700
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count33
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)8800
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.99985822
Predicted Log 10(IC50) values3.0018262
2D Structure


Record No:94


DB_ACCESS_NUMBERPPIM0094
CID51350893
CHEMBL_IDCHEMBL1688285
NSC_ID
PDB_CODE
Molecular Weight (g/mol)482.40
XLogP3-AA5.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Complexity700
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count33
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)8900
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.99985822
Predicted Log 10(IC50) values3.0018262
2D Structure


Record No:95


DB_ACCESS_NUMBERPPIM0095
CID51350895
CHEMBL_IDCHEMBL1688286
NSC_ID
PDB_CODE
Molecular Weight (g/mol)483.99
XLogP3-AA5.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Complexity763
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count35
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)49000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.58601552
Predicted Log 10(IC50) values3.6210319
2D Structure


Record No:96


DB_ACCESS_NUMBERPPIM0096
CID51350896
CHEMBL_IDCHEMBL1688287
NSC_ID
PDB_CODE
Molecular Weight (g/mol)512.82
XLogP3-AA5.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Complexity680
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)47000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.0119344
Predicted Log 10(IC50) values0.8366397
2D Structure


Record No:97


DB_ACCESS_NUMBERPPIM0097
CID51351003
CHEMBL_IDCHEMBL1688288
NSC_ID
PDB_CODE
Molecular Weight (g/mol)501.93
XLogP3-AA5.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Complexity759
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count35
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)214000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.99905225
Predicted Log 10(IC50) values3.8478399
2D Structure


Record No:98


DB_ACCESS_NUMBERPPIM0098
CID51351004
CHEMBL_IDCHEMBL1688289
NSC_ID
PDB_CODE
Molecular Weight (g/mol)480.01
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity687
Topological Polar Surface Area (A^2)75.1
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)175000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.55465475
Predicted Log 10(IC50) values2.5953246
2D Structure


Record No:99


DB_ACCESS_NUMBERPPIM0099
CID51351005
CHEMBL_IDCHEMBL1688290
NSC_ID
PDB_CODE
Molecular Weight (g/mol)491.96
XLogP3-AA4.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity771
Topological Polar Surface Area (A^2)76.1
Heavy Atom Count35
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)20000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.99977017
Predicted Log 10(IC50) values3.9360789
2D Structure


Record No:100


DB_ACCESS_NUMBERPPIM0100
CID51351006
CHEMBL_IDCHEMBL1688291
NSC_ID
PDB_CODE
Molecular Weight (g/mol)477.94
XLogP3-AA4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Complexity756
Topological Polar Surface Area (A^2)87.1
Heavy Atom Count34
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)20000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.2385354
Predicted Log 10(IC50) values4.0245419
2D Structure


Record No:101


DB_ACCESS_NUMBERPPIM0101
CID51351007
CHEMBL_IDCHEMBL1688292
NSC_ID
PDB_CODE
Molecular Weight (g/mol)476.95
XLogP3-AA3.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity758
Topological Polar Surface Area (A^2)92.9
Heavy Atom Count34
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)50000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.3068807
Predicted Log 10(IC50) values3.9965333
2D Structure


Record No:102


DB_ACCESS_NUMBERPPIM0102
CID51351127
CHEMBL_IDCHEMBL1688293
NSC_ID
PDB_CODE
Molecular Weight (g/mol)475.96
XLogP3-AA4.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity754
Topological Polar Surface Area (A^2)66.8
Heavy Atom Count34
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)17000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.0641642
Predicted Log 10(IC50) values3.9061937
2D Structure


Record No:103


DB_ACCESS_NUMBERPPIM0103
CID51351128
CHEMBL_IDCHEMBL1688294
NSC_ID
PDB_CODE
Molecular Weight (g/mol)538.04
XLogP3-AA5.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Complexity869
Topological Polar Surface Area (A^2)66.8
Heavy Atom Count39
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score0.82022737
Predicted Log 10(IC50) values4.1948389
2D Structure


Record No:104


DB_ACCESS_NUMBERPPIM0104
CID51351129
CHEMBL_IDCHEMBL1688295
NSC_ID
PDB_CODE
Molecular Weight (g/mol)434.92
XLogP3-AA3.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity643
Topological Polar Surface Area (A^2)62.7
Heavy Atom Count31
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)252000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.3137256
Predicted Log 10(IC50) values4.393453
2D Structure


Record No:105


DB_ACCESS_NUMBERPPIM0105
CID51351130
CHEMBL_IDCHEMBL1688296
NSC_ID
PDB_CODE
Molecular Weight (g/mol)434.92
XLogP3-AA3.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity649
Topological Polar Surface Area (A^2)62.7
Heavy Atom Count31
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)29000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.3072546
Predicted Log 10(IC50) values4.5844694
2D Structure


Record No:106


DB_ACCESS_NUMBERPPIM0106
CID51351131
CHEMBL_IDCHEMBL1688297
NSC_ID
PDB_CODE
Molecular Weight (g/mol)434.92
XLogP3-AA3.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity649
Topological Polar Surface Area (A^2)62.7
Heavy Atom Count31
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)10600
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.3072546
Predicted Log 10(IC50) values4.5844694
2D Structure


Record No:107


DB_ACCESS_NUMBERPPIM0107
CID51351257
CHEMBL_IDCHEMBL1688298
NSC_ID
PDB_CODE
Molecular Weight (g/mol)450.91
XLogP3-AA2.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity673
Topological Polar Surface Area (A^2)75.2
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)200000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.234053
Predicted Log 10(IC50) values4.2223447
2D Structure


Record No:108


DB_ACCESS_NUMBERPPIM0108
CID51351258
CHEMBL_IDCHEMBL1688299
NSC_ID
PDB_CODE
Molecular Weight (g/mol)450.91
XLogP3-AA2.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity681
Topological Polar Surface Area (A^2)75.2
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)200000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.2509473
Predicted Log 10(IC50) values4.4184957
2D Structure


Record No:109


DB_ACCESS_NUMBERPPIM0109
CID51351259
CHEMBL_IDCHEMBL1688300
NSC_ID
PDB_CODE
Molecular Weight (g/mol)450.91
XLogP3-AA2.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity681
Topological Polar Surface Area (A^2)75.2
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)33000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.2509473
Predicted Log 10(IC50) values4.4184957
2D Structure


Record No:110


DB_ACCESS_NUMBERPPIM0110
CID53323820
CHEMBL_IDCHEMBL1688301
NSC_ID
PDB_CODE
Molecular Weight (g/mol)500.98
XLogP3-AA3.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Complexity775
Topological Polar Surface Area (A^2)80.5
Heavy Atom Count36
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)20000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.113927
Predicted Log 10(IC50) values4.0773852
2D Structure


Record No:111


DB_ACCESS_NUMBERPPIM0111
CID53318521
CHEMBL_IDCHEMBL1688302
NSC_ID
PDB_CODE
Molecular Weight (g/mol)565.98
XLogP3-AA4.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Complexity968
Topological Polar Surface Area (A^2)92.3
Heavy Atom Count38
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)50000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.0000387
Predicted Log 10(IC50) values2.5369969
2D Structure


Record No:112


DB_ACCESS_NUMBERPPIM0112
CID53322462
CHEMBL_IDCHEMBL1688303
NSC_ID
PDB_CODE
Molecular Weight (g/mol)478.92
XLogP3-AA4.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity755
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count34
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)170
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.2335521
Predicted Log 10(IC50) values3.9969233
2D Structure


Record No:113


DB_ACCESS_NUMBERPPIM0113
CID51349847
CHEMBL_IDCHEMBL1688304
NSC_ID
PDB_CODE
Molecular Weight (g/mol)478.92
XLogP3-AA4.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity755
Topological Polar Surface Area (A^2)95.6
Heavy Atom Count34
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1300
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128
Protein-Protein Interaction Modulator SVM score1.2335521
Predicted Log 10(IC50) values3.9969233
2D Structure


Record No:114


DB_ACCESS_NUMBERPPIM0114
CID44549891
CHEMBL_IDCHEMBL1688305
NSC_ID
PDB_CODE
Molecular Weight (g/mol)564.28
XLogP3-AA6.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Complexity749
Topological Polar Surface Area (A^2)43.2
Heavy Atom Count33
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)16000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID15713419;170341
Protein-Protein Interaction Modulator SVM score2.2450431
Predicted Log 10(IC50) values4.1043879
2D Structure


Record No:115


DB_ACCESS_NUMBERPPIM0115
CID53325415
CHEMBL_IDCHEMBL1689394
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1835.1
XLogP3-AA1.3
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count24
Rotatable Bond Count36
Complexity3940
Topological Polar Surface Area (A^2)644
Heavy Atom Count132
Defined Atom Stereocenter Count14
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)61
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21277201
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values1.8855411
2D Structure


Record No:116


DB_ACCESS_NUMBERPPIM0116
CID53324101
CHEMBL_IDCHEMBL1689395
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1891.1
XLogP3-AA2.8
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count25
Rotatable Bond Count58
Complexity3930
Topological Polar Surface Area (A^2)691
Heavy Atom Count136
Defined Atom Stereocenter Count14
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)71
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21277201
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values1.7508288
2D Structure


Record No:117


DB_ACCESS_NUMBERPPIM0117
CID53326672
CHEMBL_IDCHEMBL1689396
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1946.2
XLogP3-AA2.6
Hydrogen Bond Donor Count26
Hydrogen Bond Acceptor Count25
Rotatable Bond Count62
Complexity4060
Topological Polar Surface Area (A^2)732
Heavy Atom Count140
Defined Atom Stereocenter Count13
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)160
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21277201
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values1.9597906
2D Structure


Record No:118


DB_ACCESS_NUMBERPPIM0118
CID53317691
CHEMBL_IDCHEMBL1689397
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1798.0
XLogP3-AA3.3
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count25
Rotatable Bond Count54
Complexity3730
Topological Polar Surface Area (A^2)637
Heavy Atom Count129
Defined Atom Stereocenter Count14
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)170
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21277201
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values2.3303471
2D Structure


Record No:119


DB_ACCESS_NUMBERPPIM0119
CID53317544
CHEMBL_IDCHEMBL1689398
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1833.0
XLogP3-AA3
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count24
Rotatable Bond Count55
Complexity3830
Topological Polar Surface Area (A^2)652
Heavy Atom Count132
Defined Atom Stereocenter Count13
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)6.2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21277201
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values0.89203912
2D Structure


Record No:120


DB_ACCESS_NUMBERPPIM0120
CID53325307
CHEMBL_IDCHEMBL1689399
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1861.1
XLogP3-AA3.4
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count24
Rotatable Bond Count57
Complexity3870
Topological Polar Surface Area (A^2)670
Heavy Atom Count134
Defined Atom Stereocenter Count13
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)15
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21277201
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values1.2521205
2D Structure


Record No:121


DB_ACCESS_NUMBERPPIM0121
CID53324102
CHEMBL_IDCHEMBL1689400
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1918.1
XLogP3-AA2.2
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count25
Rotatable Bond Count60
Complexity4020
Topological Polar Surface Area (A^2)714
Heavy Atom Count138
Defined Atom Stereocenter Count13
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)18
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21277201
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values1.3553517
2D Structure


Record No:122


DB_ACCESS_NUMBERPPIM0122
CID53324103
CHEMBL_IDCHEMBL1689401
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1880.1
XLogP3-AA2.8
Hydrogen Bond Donor Count25
Hydrogen Bond Acceptor Count24
Rotatable Bond Count60
Complexity3900
Topological Polar Surface Area (A^2)704
Heavy Atom Count135
Defined Atom Stereocenter Count13
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)39
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21277201
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values1.6913182
2D Structure


Record No:123


DB_ACCESS_NUMBERPPIM0123
CID53321437
CHEMBL_IDCHEMBL1689402
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1937.2
XLogP3-AA1.6
Hydrogen Bond Donor Count26
Hydrogen Bond Acceptor Count25
Rotatable Bond Count63
Complexity4060
Topological Polar Surface Area (A^2)747
Heavy Atom Count139
Defined Atom Stereocenter Count13
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)28
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21277201
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values1.5466503
2D Structure


Record No:124


DB_ACCESS_NUMBERPPIM0124
CID53321449
CHEMBL_IDCHEMBL1689403
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1971.6
XLogP3-AA2.3
Hydrogen Bond Donor Count26
Hydrogen Bond Acceptor Count25
Rotatable Bond Count63
Complexity4100
Topological Polar Surface Area (A^2)747
Heavy Atom Count140
Defined Atom Stereocenter Count13
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)14
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21277201
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values1.6445265
2D Structure


Record No:125


DB_ACCESS_NUMBERPPIM0125
CID53324104
CHEMBL_IDCHEMBL1689404
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1954.2
XLogP3-AA-0.5
Hydrogen Bond Donor Count27
Hydrogen Bond Acceptor Count25
Rotatable Bond Count63
Complexity4160
Topological Polar Surface Area (A^2)762
Heavy Atom Count140
Defined Atom Stereocenter Count13
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2300
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21277201
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values3.2615583
2D Structure


Record No:126


DB_ACCESS_NUMBERPPIM0126
CID44390543
CHEMBL_IDCHEMBL178578
NSC_ID
PDB_CODE
Molecular Weight (g/mol)580.30
XLogP3-AA4.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Complexity781
Topological Polar Surface Area (A^2)86.7
Heavy Atom Count34
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1700
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID15780621
Protein-Protein Interaction Modulator SVM score1.0570991
Predicted Log 10(IC50) values4.5914046
2D Structure


Record No:127


DB_ACCESS_NUMBERPPIM0127
CID10008863
CHEMBL_IDCHEMBL1818538
NSC_ID
PDB_CODE
Molecular Weight (g/mol)609.54
XLogP3-AA5.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity958
Topological Polar Surface Area (A^2)74.7
Heavy Atom Count42
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Biomarker for Mdm2 inhibitors for use in treating cancer and ocular diseases)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID23541651
Protein-Protein Interaction Modulator SVM score1.0003888
Predicted Log 10(IC50) values1.9692998
2D Structure


Record No:128


DB_ACCESS_NUMBERPPIM0128
CID44390659
CHEMBL_IDCHEMBL182051
NSC_ID
PDB_CODE
Molecular Weight (g/mol)453.36
XLogP3-AA5.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Complexity619
Topological Polar Surface Area (A^2)63.4
Heavy Atom Count31
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)30000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID15780621
Protein-Protein Interaction Modulator SVM score0.99943896
Predicted Log 10(IC50) values3.0828049
2D Structure


Record No:129


DB_ACCESS_NUMBERPPIM0129
CID56840663
CHEMBL_IDCHEMBL1909836
NSC_ID
PDB_CODE
Molecular Weight (g/mol)658.51
XLogP3-AA7.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Complexity1010
Topological Polar Surface Area (A^2)103
Heavy Atom Count44
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1060
Target Protein-protein Interaction complexMdm2/P53
Clinical Application
Off Targets
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score0.99953149
Predicted Log 10(IC50) values1.1432238
2D Structure


Record No:130


DB_ACCESS_NUMBERPPIM0130
CID11433190
CHEMBL_IDCHEMBL191334
NSC_ID
PDB_CODE
Molecular Weight (g/mol)581.49
XLogP3-AA5.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity919
Topological Polar Surface Area (A^2)83.5
Heavy Atom Count40
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)4.1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsMDMX
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID21314128,235970
Protein-Protein Interaction Modulator SVM score1.1666965
Predicted Log 10(IC50) values1.713178
2D Structure


Record No:131


DB_ACCESS_NUMBERPPIM0131
CID11447214
CHEMBL_IDCHEMBL199341
NSC_ID
PDB_CODE
Molecular Weight (g/mol)214.26
XLogP3-AA2.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity245
Topological Polar Surface Area (A^2)74.6
Heavy Atom Count15
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)230000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsBeta-lactamase IMP-1
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16246554
Protein-Protein Interaction Modulator SVM score0.99949423
Predicted Log 10(IC50) values5.2611655
2D Structure


Record No:132


DB_ACCESS_NUMBERPPIM0132
CID13644737
CHEMBL_IDCHEMBL199687
NSC_ID
PDB_CODE
Molecular Weight (g/mol)216.27
XLogP3-AA2.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity213
Topological Polar Surface Area (A^2)74.6
Heavy Atom Count15
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16246554
Protein-Protein Interaction Modulator SVM score0.59345061
Predicted Log 10(IC50) values4.8563797
2D Structure


Record No:133


DB_ACCESS_NUMBERPPIM0133
CID372325
CHEMBL_IDCHEMBL2009640
NSC_ID
PDB_CODE
Molecular Weight (g/mol)244.29
XLogP3-AA2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity321
Topological Polar Surface Area (A^2)54.1
Heavy Atom Count18
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(pharmaceutical agents for cholestasis, Parkinson's disease and Alzheimer's disease )
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score-0.75867165
Predicted Log 10(IC50) values3.2064414
2D Structure


Record No:134


DB_ACCESS_NUMBERPPIM0134
CID60154111
CHEMBL_IDCHEMBL2059299
NSC_ID
PDB_CODE
Molecular Weight (g/mol)432.34
XLogP3-AA4.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Complexity603
Topological Polar Surface Area (A^2)57.6
Heavy Atom Count29
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2420
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID23597064
Protein-Protein Interaction Modulator SVM score1.2123349
Predicted Log 10(IC50) values3.3615413
2D Structure


Record No:135


DB_ACCESS_NUMBERPPIM0135
CID56591154
CHEMBL_IDCHEMBL2059300
NSC_ID
PDB_CODE
Molecular Weight (g/mol)534.47
XLogP3-AA6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity806
Topological Polar Surface Area (A^2)83.9
Heavy Atom Count36
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2.2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22524527
Protein-Protein Interaction Modulator SVM score1.1053918
Predicted Log 10(IC50) values3.5347196
2D Structure


Record No:136


DB_ACCESS_NUMBERPPIM0136
CID56965957
CHEMBL_IDCHEMBL2059435
NSC_ID
PDB_CODE
Molecular Weight (g/mol)478.41
XLogP3-AA4.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity668
Topological Polar Surface Area (A^2)77.8
Heavy Atom Count32
Defined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsCYP3A4,NR1I2
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.68118253
Predicted Log 10(IC50) values1.8002877
2D Structure


Record No:137


DB_ACCESS_NUMBERPPIM0137
CID44176184
CHEMBL_IDCHEMBL207013
NSC_ID
PDB_CODE
Molecular Weight (g/mol)653.33
XLogP3-AA5.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Complexity761
Topological Polar Surface Area (A^2)59.1
Heavy Atom Count37
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)12500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16630722
Protein-Protein Interaction Modulator SVM score1.0003885
Predicted Log 10(IC50) values3.997133
2D Structure


Record No:138


DB_ACCESS_NUMBERPPIM0138
CID21060010
CHEMBL_IDCHEMBL207202
NSC_ID
PDB_CODE
Molecular Weight (g/mol)653.33
XLogP3-AA5.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Complexity761
Topological Polar Surface Area (A^2)59.1
Heavy Atom Count37
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2390
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16630722
Protein-Protein Interaction Modulator SVM score1.0003885
Predicted Log 10(IC50) values3.997133
2D Structure


Record No:139


DB_ACCESS_NUMBERPPIM0139
CID44176187
CHEMBL_IDCHEMBL207255
NSC_ID
PDB_CODE
Molecular Weight (g/mol)652.26
XLogP3-AA4.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity863
Topological Polar Surface Area (A^2)116
Heavy Atom Count37
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)850
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16600594
Protein-Protein Interaction Modulator SVM score1.4145096
Predicted Log 10(IC50) values3.40627
2D Structure


Record No:140


DB_ACCESS_NUMBERPPIM0140
CID44412732
CHEMBL_IDCHEMBL207332
NSC_ID
PDB_CODE
Molecular Weight (g/mol)666.33
XLogP3-AA5.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Complexity858
Topological Polar Surface Area (A^2)104
Heavy Atom Count38
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)250
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (treating cancer or other cell proliferative diseases.)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16647257
Protein-Protein Interaction Modulator SVM score1.4268567
Predicted Log 10(IC50) values3.5510437
2D Structure


Record No:141


DB_ACCESS_NUMBERPPIM0141
CID11952735
CHEMBL_IDCHEMBL207364
NSC_ID
PDB_CODE
Molecular Weight (g/mol)591.53
XLogP3-AA5.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity986
Topological Polar Surface Area (A^2)79.1
Heavy Atom Count41
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)787
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16630722
Protein-Protein Interaction Modulator SVM score0.9995853
Predicted Log 10(IC50) values2.5300128
2D Structure


Record No:142


DB_ACCESS_NUMBERPPIM0142
CID44176200
CHEMBL_IDCHEMBL207505
NSC_ID
PDB_CODE
Molecular Weight (g/mol)651.32
XLogP3-AA6.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity816
Topological Polar Surface Area (A^2)77.9
Heavy Atom Count37
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)13300
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16600594
Protein-Protein Interaction Modulator SVM score1.0001212
Predicted Log 10(IC50) values3.9551621
2D Structure


Record No:143


DB_ACCESS_NUMBERPPIM0143
CID44411888
CHEMBL_IDCHEMBL207541
NSC_ID
PDB_CODE
Molecular Weight (g/mol)678.34
XLogP3-AA5.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity890
Topological Polar Surface Area (A^2)70.2
Heavy Atom Count39
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)5400
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16630722
Protein-Protein Interaction Modulator SVM score1.0506637
Predicted Log 10(IC50) values3.6327802
2D Structure


Record No:144


DB_ACCESS_NUMBERPPIM0144
CID11952817
CHEMBL_IDCHEMBL207845
NSC_ID
PDB_CODE
Molecular Weight (g/mol)700.87
XLogP3-AA6.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Complexity927
Topological Polar Surface Area (A^2)87.2
Heavy Atom Count41
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1040
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16600594
Protein-Protein Interaction Modulator SVM score1.6462665
Predicted Log 10(IC50) values3.1475528
2D Structure


Record No:145


DB_ACCESS_NUMBERPPIM0145
CID44412108
CHEMBL_IDCHEMBL208007
NSC_ID
PDB_CODE
Molecular Weight (g/mol)677.36
XLogP3-AA6.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Complexity888
Topological Polar Surface Area (A^2)77.9
Heavy Atom Count39
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2150
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16600594
Protein-Protein Interaction Modulator SVM score1.1792852
Predicted Log 10(IC50) values3.543745
2D Structure


Record No:146


DB_ACCESS_NUMBERPPIM0146
CID44412088
CHEMBL_IDCHEMBL208020
NSC_ID
PDB_CODE
Molecular Weight (g/mol)672.3
XLogP3-AA5.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity890
Topological Polar Surface Area (A^2)90.8
Heavy Atom Count39
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)4350
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16600594
Protein-Protein Interaction Modulator SVM score1.6114759
Predicted Log 10(IC50) values3.4471829
2D Structure


Record No:147


DB_ACCESS_NUMBERPPIM0147
CID44176172
CHEMBL_IDCHEMBL208554
NSC_ID
PDB_CODE
Molecular Weight (g/mol)652.31
XLogP3-AA5.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Complexity828
Topological Polar Surface Area (A^2)104
Heavy Atom Count37
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)810
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16647257
Protein-Protein Interaction Modulator SVM score0.99970424
Predicted Log 10(IC50) values3.7054888
2D Structure


Record No:148


DB_ACCESS_NUMBERPPIM0148
CID11571200
CHEMBL_IDCHEMBL208562
NSC_ID
PDB_CODE
Molecular Weight (g/mol)706.45
XLogP3-AA5.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity900
Topological Polar Surface Area (A^2)73.1
Heavy Atom Count41
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)546
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (Improving the production of influenza viruses and vaccine seeds and also an inhibitor of the in
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16630722
Protein-Protein Interaction Modulator SVM score0.99952799
Predicted Log 10(IC50) values3.4481691
2D Structure


Record No:149


DB_ACCESS_NUMBERPPIM0149
CID44176175
CHEMBL_IDCHEMBL208625
NSC_ID
PDB_CODE
Molecular Weight (g/mol)655.31
XLogP3-AA4.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity775
Topological Polar Surface Area (A^2)98
Heavy Atom Count37
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)11600
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16647257
Protein-Protein Interaction Modulator SVM score1.1022362
Predicted Log 10(IC50) values3.9637516
2D Structure


Record No:150


DB_ACCESS_NUMBERPPIM0150
CID70695473
CHEMBL_IDCHEMBL2089149
NSC_ID
PDB_CODE
Molecular Weight (g/mol)519.82
XLogP3-AA6.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Complexity741
Topological Polar Surface Area (A^2)90.7
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)11100
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNO
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score1.0005271
Predicted Log 10(IC50) values4.1228823
2D Structure


Record No:151


DB_ACCESS_NUMBERPPIM0151
CID70697491
CHEMBL_IDCHEMBL2089150
NSC_ID
PDB_CODE
Molecular Weight (g/mol)519.82
XLogP3-AA6.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Complexity741
Topological Polar Surface Area (A^2)90.7
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)61800
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score1.0005271
Predicted Log 10(IC50) values4.1228823
2D Structure


Record No:152


DB_ACCESS_NUMBERPPIM0152
CID70693374
CHEMBL_IDCHEMBL2089151
NSC_ID
PDB_CODE
Molecular Weight (g/mol)519.82
XLogP3-AA6.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Complexity741
Topological Polar Surface Area (A^2)90.7
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score1.0005271
Predicted Log 10(IC50) values4.1228823
2D Structure


Record No:153


DB_ACCESS_NUMBERPPIM0153
CID70689172
CHEMBL_IDCHEMBL2089152
NSC_ID
PDB_CODE
Molecular Weight (g/mol)503.36
XLogP3-AA5.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity743
Topological Polar Surface Area (A^2)90.7
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)6590
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score1.1774693
Predicted Log 10(IC50) values4.1992668
2D Structure


Record No:154


DB_ACCESS_NUMBERPPIM0154
CID70684931
CHEMBL_IDCHEMBL2089153
NSC_ID
PDB_CODE
Molecular Weight (g/mol)521.36
XLogP3-AA5.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Complexity777
Topological Polar Surface Area (A^2)90.7
Heavy Atom Count34
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2610
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score1.2439788
Predicted Log 10(IC50) values4.4386148
2D Structure


Record No:155


DB_ACCESS_NUMBERPPIM0155
CID70695481
CHEMBL_IDCHEMBL2089200
NSC_ID
PDB_CODE
Molecular Weight (g/mol)486.91
XLogP3-AA5.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Complexity743
Topological Polar Surface Area (A^2)90.7
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)12700
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score1.3083792
Predicted Log 10(IC50) values4.2040195
2D Structure


Record No:156


DB_ACCESS_NUMBERPPIM0156
CID70689181
CHEMBL_IDCHEMBL2089201
NSC_ID
PDB_CODE
Molecular Weight (g/mol)503.36
XLogP3-AA5.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity743
Topological Polar Surface Area (A^2)90.7
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)6480
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score1.1774693
Predicted Log 10(IC50) values4.1992668
2D Structure


Record No:157


DB_ACCESS_NUMBERPPIM0157
CID70682866
CHEMBL_IDCHEMBL2089202
NSC_ID
PDB_CODE
Molecular Weight (g/mol)515.40
XLogP3-AA5.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity755
Topological Polar Surface Area (A^2)100
Heavy Atom Count34
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score0.97907566
Predicted Log 10(IC50) values4.4004148
2D Structure


Record No:158


DB_ACCESS_NUMBERPPIM0158
CID70687100
CHEMBL_IDCHEMBL2089203
NSC_ID
PDB_CODE
Molecular Weight (g/mol)553.37
XLogP3-AA6.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Complexity832
Topological Polar Surface Area (A^2)90.7
Heavy Atom Count36
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)5690
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score0.99989977
Predicted Log 10(IC50) values3.6141391
2D Structure


Record No:159


DB_ACCESS_NUMBERPPIM0159
CID70693378
CHEMBL_IDCHEMBL2089204
NSC_ID
PDB_CODE
Molecular Weight (g/mol)536.92
XLogP3-AA5.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Complexity831
Topological Polar Surface Area (A^2)90.7
Heavy Atom Count36
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)9490
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score1.3322231
Predicted Log 10(IC50) values3.3206641
2D Structure


Record No:160


DB_ACCESS_NUMBERPPIM0160
CID70689182
CHEMBL_IDCHEMBL2089205
NSC_ID
PDB_CODE
Molecular Weight (g/mol)515.40
XLogP3-AA5.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity755
Topological Polar Surface Area (A^2)100
Heavy Atom Count34
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)20000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score0.97907566
Predicted Log 10(IC50) values4.4004148
2D Structure


Record No:161


DB_ACCESS_NUMBERPPIM0161
CID70695482
CHEMBL_IDCHEMBL2089206
NSC_ID
PDB_CODE
Molecular Weight (g/mol)499.40
XLogP3-AA5.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Complexity737
Topological Polar Surface Area (A^2)90.7
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)19100
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score1.0775007
Predicted Log 10(IC50) values4.0527795
2D Structure


Record No:162


DB_ACCESS_NUMBERPPIM0162
CID70697500
CHEMBL_IDCHEMBL2089207
NSC_ID
PDB_CODE
Molecular Weight (g/mol)499.40
XLogP3-AA5.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Complexity737
Topological Polar Surface Area (A^2)90.7
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)25500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score1.0775007
Predicted Log 10(IC50) values4.0527795
2D Structure


Record No:163


DB_ACCESS_NUMBERPPIM0163
CID70682867
CHEMBL_IDCHEMBL2089208
NSC_ID
PDB_CODE
Molecular Weight (g/mol)503.36
XLogP3-AA5.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity743
Topological Polar Surface Area (A^2)90.7
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)7530
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score1.1774693
Predicted Log 10(IC50) values4.1992668
2D Structure


Record No:164


DB_ACCESS_NUMBERPPIM0164
CID70693379
CHEMBL_IDCHEMBL2089209
NSC_ID
PDB_CODE
Molecular Weight (g/mol)486.91
XLogP3-AA5.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Complexity743
Topological Polar Surface Area (A^2)90.7
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)19400
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score1.3083792
Predicted Log 10(IC50) values4.2040195
2D Structure


Record No:165


DB_ACCESS_NUMBERPPIM0165
CID70697501
CHEMBL_IDCHEMBL2089210
NSC_ID
PDB_CODE
Molecular Weight (g/mol)564.27
XLogP3-AA6.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Complexity743
Topological Polar Surface Area (A^2)90.7
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)11000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score0.9992565
Predicted Log 10(IC50) values3.9416434
2D Structure


Record No:166


DB_ACCESS_NUMBERPPIM0166
CID70697502
CHEMBL_IDCHEMBL2089211
NSC_ID
PDB_CODE
Molecular Weight (g/mol)553.37
XLogP3-AA6.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Complexity832
Topological Polar Surface Area (A^2)90.7
Heavy Atom Count36
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)9230
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score0.99989977
Predicted Log 10(IC50) values3.6141391
2D Structure


Record No:167


DB_ACCESS_NUMBERPPIM0167
CID70682883
CHEMBL_IDCHEMBL2089320
NSC_ID
PDB_CODE
Molecular Weight (g/mol)515.40
XLogP3-AA5.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity755
Topological Polar Surface Area (A^2)100
Heavy Atom Count34
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)33900
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score0.97907566
Predicted Log 10(IC50) values4.4004148
2D Structure


Record No:168


DB_ACCESS_NUMBERPPIM0168
CID70682884
CHEMBL_IDCHEMBL2089321
NSC_ID
PDB_CODE
Molecular Weight (g/mol)533.84
XLogP3-AA6.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity769
Topological Polar Surface Area (A^2)84.3
Heavy Atom Count34
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)67600
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score0.99914019
Predicted Log 10(IC50) values4.7294116
2D Structure


Record No:169


DB_ACCESS_NUMBERPPIM0169
CID70689192
CHEMBL_IDCHEMBL2089322
NSC_ID
PDB_CODE
Molecular Weight (g/mol)601.49
XLogP3-AA6.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Complexity922
Topological Polar Surface Area (A^2)120
Heavy Atom Count40
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22940704
Protein-Protein Interaction Modulator SVM score0.99917427
Predicted Log 10(IC50) values0.17405985
2D Structure


Record No:170


DB_ACCESS_NUMBERPPIM0170
CID11953137
CHEMBL_IDCHEMBL208999
NSC_ID
PDB_CODE
Molecular Weight (g/mol)695.37
XLogP3-AA4.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Complexity890
Topological Polar Surface Area (A^2)99.3
Heavy Atom Count40
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2700
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16647257
Protein-Protein Interaction Modulator SVM score1.6180633
Predicted Log 10(IC50) values3.3813027
2D Structure


Record No:171


DB_ACCESS_NUMBERPPIM0171
CID22046788
CHEMBL_IDCHEMBL209156
NSC_ID
PDB_CODE
Molecular Weight (g/mol)639.22
XLogP3-AA5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Complexity862
Topological Polar Surface Area (A^2)115
Heavy Atom Count36
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)10200
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16600594
Protein-Protein Interaction Modulator SVM score1.2093042
Predicted Log 10(IC50) values3.5932221
2D Structure


Record No:172


DB_ACCESS_NUMBERPPIM0172
CID22046762
CHEMBL_IDCHEMBL209169
NSC_ID
PDB_CODE
Molecular Weight (g/mol)681.30
XLogP3-AA5.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity909
Topological Polar Surface Area (A^2)115
Heavy Atom Count39
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)510
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (used in human Cancer Therapy)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16600594
Protein-Protein Interaction Modulator SVM score1.9089048
Predicted Log 10(IC50) values3.0689339
2D Structure


Record No:173


DB_ACCESS_NUMBERPPIM0173
CID21060012
CHEMBL_IDCHEMBL209201
NSC_ID
PDB_CODE
Molecular Weight (g/mol)664.36
XLogP3-AA5.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Complexity815
Topological Polar Surface Area (A^2)53.1
Heavy Atom Count38
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2700
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16630722
Protein-Protein Interaction Modulator SVM score0.82856005
Predicted Log 10(IC50) values3.9287741
2D Structure


Record No:174


DB_ACCESS_NUMBERPPIM0174
CID11952815
CHEMBL_IDCHEMBL210151
NSC_ID
PDB_CODE
Molecular Weight (g/mol)651.32
XLogP3-AA6.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity816
Topological Polar Surface Area (A^2)77.9
Heavy Atom Count37
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)700
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16630722
Protein-Protein Interaction Modulator SVM score1.0001212
Predicted Log 10(IC50) values3.9551621
2D Structure


Record No:175


DB_ACCESS_NUMBERPPIM0175
CID44412055
CHEMBL_IDCHEMBL210409
NSC_ID
PDB_CODE
Molecular Weight (g/mol)695.33
XLogP3-AA6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity924
Topological Polar Surface Area (A^2)104
Heavy Atom Count40
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2820
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16600594
Protein-Protein Interaction Modulator SVM score1.8745473
Predicted Log 10(IC50) values3.1422408
2D Structure


Record No:176


DB_ACCESS_NUMBERPPIM0176
CID22046784
CHEMBL_IDCHEMBL210443
NSC_ID
PDB_CODE
Molecular Weight (g/mol)652.26
XLogP3-AA4.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity878
Topological Polar Surface Area (A^2)107
Heavy Atom Count37
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3330
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(used in human Cancer Therapy)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16600594
Protein-Protein Interaction Modulator SVM score1.7152769
Predicted Log 10(IC50) values3.4220548
2D Structure


Record No:177


DB_ACCESS_NUMBERPPIM0177
CID9917797
CHEMBL_IDCHEMBL210545
NSC_ID
PDB_CODE
Molecular Weight (g/mol)668.35
XLogP3-AA5.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity802
Topological Polar Surface Area (A^2)85.1
Heavy Atom Count38
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)394
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Improving the production of influenza viruses and vaccine seeds & Combinational therapy involvin
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16647257
Protein-Protein Interaction Modulator SVM score1.3573977
Predicted Log 10(IC50) values3.7719671
2D Structure


Record No:178


DB_ACCESS_NUMBERPPIM0178
CID11526064
CHEMBL_IDCHEMBL210611
NSC_ID
PDB_CODE
Molecular Weight (g/mol)492.41
XLogP3-AA4.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity775
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count33
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1719792
Predicted Log 10(IC50) values3.5821364
2D Structure


Record No:179


DB_ACCESS_NUMBERPPIM0179
CID248986
CHEMBL_IDCHEMBL210778
NSC_IDNSC66811
PDB_CODE
Molecular Weight (g/mol)340.42
XLogP3-AA5.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity430
Topological Polar Surface Area (A^2)45.2
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (composition and development of targeted drug development)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16789731
Protein-Protein Interaction Modulator SVM score0.37769905
Predicted Log 10(IC50) values3.6780021
2D Structure


Record No:180


DB_ACCESS_NUMBERPPIM0180
CID11620161
CHEMBL_IDCHEMBL210789
NSC_ID
PDB_CODE
Molecular Weight (g/mol)492.41
XLogP3-AA4.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity775
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count33
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16759082
Protein-Protein Interaction Modulator SVM score1.1719792
Predicted Log 10(IC50) values3.5821364
2D Structure


Record No:181


DB_ACCESS_NUMBERPPIM0181
CID11953136
CHEMBL_IDCHEMBL210853
NSC_ID
PDB_CODE
Molecular Weight (g/mol)697.37
XLogP3-AA5.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Complexity893
Topological Polar Surface Area (A^2)79.1
Heavy Atom Count40
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2600
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16647257
Protein-Protein Interaction Modulator SVM score1.268554
Predicted Log 10(IC50) values3.5153489
2D Structure


Record No:182


DB_ACCESS_NUMBERPPIM0182
CID11953254
CHEMBL_IDCHEMBL210913
NSC_ID
PDB_CODE
Molecular Weight (g/mol)563.47
XLogP3-AA6.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Complexity945
Topological Polar Surface Area (A^2)77.9
Heavy Atom Count39
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1110
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16600594
Protein-Protein Interaction Modulator SVM score0.64117925
Predicted Log 10(IC50) values2.7738809
2D Structure


Record No:183


DB_ACCESS_NUMBERPPIM0183
CID216345
CHEMBL_IDCHEMBL211045
NSC_IDNSC732664
PDB_CODE
Molecular Weight (g/mol)581.49
XLogP3-AA5.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity919
Topological Polar Surface Area (A^2)83.5
Heavy Atom Count40
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)104.5
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Therapeutic agents for treating cancer)
Off TargetsVDR, THRB, MEN1, KMT2A, GBA, GLA, GAA, GAPDH, BLM, Rorc
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22995624
Protein-Protein Interaction Modulator SVM score1.0962763
Predicted Log 10(IC50) values1.9190458
2D Structure


Record No:184


DB_ACCESS_NUMBERPPIM0184
CID44176179
CHEMBL_IDCHEMBL212568
NSC_ID
PDB_CODE
Molecular Weight (g/mol)664.36
XLogP3-AA5.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Complexity823
Topological Polar Surface Area (A^2)53.1
Heavy Atom Count38
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)19000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16647257
Protein-Protein Interaction Modulator SVM score0.68927461
Predicted Log 10(IC50) values4.0379607
2D Structure


Record No:185


DB_ACCESS_NUMBERPPIM0185
CID44176181
CHEMBL_IDCHEMBL212747
NSC_ID
PDB_CODE
Molecular Weight (g/mol)637.34
XLogP3-AA5.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity766
Topological Polar Surface Area (A^2)69.9
Heavy Atom Count36
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)12200
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16647257
Protein-Protein Interaction Modulator SVM score1.1962486
Predicted Log 10(IC50) values3.9856088
2D Structure


Record No:186


DB_ACCESS_NUMBERPPIM0186
CID68954893
CHEMBL_IDCHEMBL2151052
NSC_ID
PDB_CODE
Molecular Weight (g/mol)517.42
XLogP3-AA3.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity868
Topological Polar Surface Area (A^2)99.5
Heavy Atom Count34
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)7100
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22995624
Protein-Protein Interaction Modulator SVM score2.0346484
Predicted Log 10(IC50) values2.1486747
2D Structure


Record No:187


DB_ACCESS_NUMBERPPIM0187
CID71456576
CHEMBL_IDCHEMBL2152318
NSC_ID
PDB_CODE
Molecular Weight (g/mol)487.39
XLogP3-AA3.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Complexity834
Topological Polar Surface Area (A^2)90.3
Heavy Atom Count32
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2700
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22995624
Protein-Protein Interaction Modulator SVM score1.6259104
Predicted Log 10(IC50) values3.331445
2D Structure


Record No:188


DB_ACCESS_NUMBERPPIM0188
CID71453053
CHEMBL_IDCHEMBL2152319
NSC_ID
PDB_CODE
Molecular Weight (g/mol)501.42
XLogP3-AA4.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity849
Topological Polar Surface Area (A^2)90.3
Heavy Atom Count33
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1800
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22995624
Protein-Protein Interaction Modulator SVM score1.8982733
Predicted Log 10(IC50) values3.1544132
2D Structure


Record No:189


DB_ACCESS_NUMBERPPIM0189
CID58007477
CHEMBL_IDCHEMBL2152320
NSC_ID
PDB_CODE
Molecular Weight (g/mol)515.45
XLogP3-AA4.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity878
Topological Polar Surface Area (A^2)90.3
Heavy Atom Count34
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)260
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22995624
Protein-Protein Interaction Modulator SVM score1.8681927
Predicted Log 10(IC50) values3.0784983
2D Structure


Record No:190


DB_ACCESS_NUMBERPPIM0190
CID71458425
CHEMBL_IDCHEMBL2152321
NSC_ID
PDB_CODE
Molecular Weight (g/mol)515.45
XLogP3-AA4.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Complexity865
Topological Polar Surface Area (A^2)90.3
Heavy Atom Count34
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3100
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22995624
Protein-Protein Interaction Modulator SVM score2.0159033
Predicted Log 10(IC50) values2.8459521
2D Structure


Record No:191


DB_ACCESS_NUMBERPPIM0191
CID68807602
CHEMBL_IDCHEMBL2152322
NSC_ID
PDB_CODE
Molecular Weight (g/mol)513.43
XLogP3-AA3.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity907
Topological Polar Surface Area (A^2)90.3
Heavy Atom Count34
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)9500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22995624
Protein-Protein Interaction Modulator SVM score0.99899153
Predicted Log 10(IC50) values3.8782005
2D Structure


Record No:192


DB_ACCESS_NUMBERPPIM0192
CID68805209
CHEMBL_IDCHEMBL2152323
NSC_ID
PDB_CODE
Molecular Weight (g/mol)529.48
XLogP3-AA5.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity917
Topological Polar Surface Area (A^2)90.3
Heavy Atom Count35
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22995624
Protein-Protein Interaction Modulator SVM score0.99901872
Predicted Log 10(IC50) values3.1033213
2D Structure


Record No:193


DB_ACCESS_NUMBERPPIM0193
CID71458426
CHEMBL_IDCHEMBL2152324
NSC_ID
PDB_CODE
Molecular Weight (g/mol)543.50
XLogP3-AA4.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity917
Topological Polar Surface Area (A^2)81.5
Heavy Atom Count36
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)840
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22995624
Protein-Protein Interaction Modulator SVM score1.1785713
Predicted Log 10(IC50) values3.1124107
2D Structure


Record No:194


DB_ACCESS_NUMBERPPIM0194
CID71449443
CHEMBL_IDCHEMBL2152325
NSC_ID
PDB_CODE
Molecular Weight (g/mol)571.56
XLogP3-AA5.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Complexity962
Topological Polar Surface Area (A^2)81.5
Heavy Atom Count38
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)4400
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22995624
Protein-Protein Interaction Modulator SVM score1.2295103
Predicted Log 10(IC50) values2.7260928
2D Structure


Record No:195


DB_ACCESS_NUMBERPPIM0195
CID24968163
CHEMBL_IDCHEMBL2152326
NSC_ID
PDB_CODE
Molecular Weight (g/mol)502.45
XLogP3-AA5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity798
Topological Polar Surface Area (A^2)70.4
Heavy Atom Count33
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)340
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22995624
Protein-Protein Interaction Modulator SVM score1.154726
Predicted Log 10(IC50) values3.8603948
2D Structure


Record No:196


DB_ACCESS_NUMBERPPIM0196
CID68806861
CHEMBL_IDCHEMBL2152327
NSC_ID
PDB_CODE
Molecular Weight (g/mol)529.48
XLogP3-AA4.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity894
Topological Polar Surface Area (A^2)90.3
Heavy Atom Count35
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1100
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22995624
Protein-Protein Interaction Modulator SVM score1.6702736
Predicted Log 10(IC50) values2.6541462
2D Structure


Record No:197


DB_ACCESS_NUMBERPPIM0197
CID44608507
CHEMBL_IDCHEMBL2152328
NSC_ID
PDB_CODE
Molecular Weight (g/mol)545.52
XLogP3-AA4.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity860
Topological Polar Surface Area (A^2)84.7
Heavy Atom Count36
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1800
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22995624
Protein-Protein Interaction Modulator SVM score1.7447005
Predicted Log 10(IC50) values2.8712873
2D Structure


Record No:198


DB_ACCESS_NUMBERPPIM0198
CID71453054
CHEMBL_IDCHEMBL2152329
NSC_ID
PDB_CODE
Molecular Weight (g/mol)515.49
XLogP3-AA5.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity825
Topological Polar Surface Area (A^2)64.4
Heavy Atom Count34
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1200
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22995624
Protein-Protein Interaction Modulator SVM score0.90492594
Predicted Log 10(IC50) values4.1507712
2D Structure


Record No:199


DB_ACCESS_NUMBERPPIM0199
CID71451237
CHEMBL_IDCHEMBL2152330
NSC_ID
PDB_CODE
Molecular Weight (g/mol)529.52
XLogP3-AA5.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity853
Topological Polar Surface Area (A^2)73.2
Heavy Atom Count35
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)140
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22995624
Protein-Protein Interaction Modulator SVM score1.6450455
Predicted Log 10(IC50) values3.5951117
2D Structure


Record No:200


DB_ACCESS_NUMBERPPIM0200
CID58007119
CHEMBL_IDCHEMBL2152331
NSC_ID
PDB_CODE
Molecular Weight (g/mol)515.45
XLogP3-AA4.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity878
Topological Polar Surface Area (A^2)90.3
Heavy Atom Count34
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)160
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22995624
Protein-Protein Interaction Modulator SVM score1.8162214
Predicted Log 10(IC50) values3.2930957
2D Structure


Record No:201


DB_ACCESS_NUMBERPPIM0201
CID16755649
CHEMBL_IDCHEMBL2152332
NSC_ID
PDB_CODE
Molecular Weight (g/mol)581.49
XLogP3-AA5.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity919
Topological Polar Surface Area (A^2)83.5
Heavy Atom Count40
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)13600
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( therapeutic utility in cancer therapy and prevention and also treating stroke, myocardial infar
Off TargetsYES1
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID14704432, 15452
Protein-Protein Interaction Modulator SVM score1.1666965
Predicted Log 10(IC50) values1.713178
2D Structure


Record No:202


DB_ACCESS_NUMBERPPIM0202
CID71457016
CHEMBL_IDCHEMBL2171149
NSC_ID
PDB_CODE
Molecular Weight (g/mol)380.44
XLogP3-AA3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Complexity521
Topological Polar Surface Area (A^2)63.8
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score0.72089221
Predicted Log 10(IC50) values2.4606474
2D Structure


Record No:203


DB_ACCESS_NUMBERPPIM0203
CID71462398
CHEMBL_IDCHEMBL2171150
NSC_ID
PDB_CODE
Molecular Weight (g/mol)336.43
XLogP3-AA3.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Complexity422
Topological Polar Surface Area (A^2)37.5
Heavy Atom Count25
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score0.33051122
Predicted Log 10(IC50) values4.0132546
2D Structure


Record No:204


DB_ACCESS_NUMBERPPIM0204
CID71458874
CHEMBL_IDCHEMBL2171151
NSC_ID
PDB_CODE
Molecular Weight (g/mol)350.37
XLogP3-AA1.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Complexity600
Topological Polar Surface Area (A^2)75.5
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.5906583
Predicted Log 10(IC50) values5.4424924
2D Structure


Record No:205


DB_ACCESS_NUMBERPPIM0205
CID71451678
CHEMBL_IDCHEMBL2171152
NSC_ID
PDB_CODE
Molecular Weight (g/mol)436.46
XLogP3-AA2.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Complexity785
Topological Polar Surface Area (A^2)102
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.0001401
Predicted Log 10(IC50) values3.3344721
2D Structure


Record No:206


DB_ACCESS_NUMBERPPIM0206
CID71449862
CHEMBL_IDCHEMBL2171153
NSC_ID
PDB_CODE
Molecular Weight (g/mol)336.35
XLogP3-AA1.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Complexity571
Topological Polar Surface Area (A^2)86.4
Heavy Atom Count25
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.0557217
Predicted Log 10(IC50) values5.3697186
2D Structure


Record No:207


DB_ACCESS_NUMBERPPIM0207
CID10947625
CHEMBL_IDCHEMBL2171154
NSC_ID
PDB_CODE
Molecular Weight (g/mol)334.41
XLogP3-AA3.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Complexity463
Topological Polar Surface Area (A^2)45.3
Heavy Atom Count25
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.0488113
Predicted Log 10(IC50) values3.2931851
2D Structure


Record No:208


DB_ACCESS_NUMBERPPIM0208
CID71457017
CHEMBL_IDCHEMBL2171155
NSC_ID
PDB_CODE
Molecular Weight (g/mol)416.51
XLogP3-AA3.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity639
Topological Polar Surface Area (A^2)81
Heavy Atom Count30
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.23317
Predicted Log 10(IC50) values4.3379359
2D Structure


Record No:209


DB_ACCESS_NUMBERPPIM0209
CID71449863
CHEMBL_IDCHEMBL2171156
NSC_ID
PDB_CODE
Molecular Weight (g/mol)414.50
XLogP3-AA3.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity666
Topological Polar Surface Area (A^2)77.8
Heavy Atom Count30
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.2888353
Predicted Log 10(IC50) values5.2533046
2D Structure


Record No:210


DB_ACCESS_NUMBERPPIM0210
CID71462399
CHEMBL_IDCHEMBL2171157
NSC_ID
PDB_CODE
Molecular Weight (g/mol)354.41
XLogP3-AA1.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Complexity586
Topological Polar Surface Area (A^2)85.5
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.24409
Predicted Log 10(IC50) values5.2162322
2D Structure


Record No:211


DB_ACCESS_NUMBERPPIM0211
CID71449864
CHEMBL_IDCHEMBL2171158
NSC_ID
PDB_CODE
Molecular Weight (g/mol)410.51
XLogP3-AA3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity641
Topological Polar Surface Area (A^2)85.5
Heavy Atom Count30
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.076896
Predicted Log 10(IC50) values4.4606444
2D Structure


Record No:212


DB_ACCESS_NUMBERPPIM0212
CID71451679
CHEMBL_IDCHEMBL2171159
NSC_ID
PDB_CODE
Molecular Weight (g/mol)272.34
XLogP3-AA2.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity360
Topological Polar Surface Area (A^2)54.1
Heavy Atom Count20
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score-0.36232461
Predicted Log 10(IC50) values2.8386532
2D Structure


Record No:213


DB_ACCESS_NUMBERPPIM0213
CID71457018
CHEMBL_IDCHEMBL2171160
NSC_ID
PDB_CODE
Molecular Weight (g/mol)372.46
XLogP3-AA3.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Complexity559
Topological Polar Surface Area (A^2)71.6
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.0409273
Predicted Log 10(IC50) values3.6208657
2D Structure


Record No:214


DB_ACCESS_NUMBERPPIM0214
CID71451680
CHEMBL_IDCHEMBL2171161
NSC_ID
PDB_CODE
Molecular Weight (g/mol)330.42
XLogP3-AA2.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity462
Topological Polar Surface Area (A^2)65.6
Heavy Atom Count24
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.1949244
Predicted Log 10(IC50) values2.7888128
2D Structure


Record No:215


DB_ACCESS_NUMBERPPIM0215
CID71458875
CHEMBL_IDCHEMBL2171162
NSC_ID
PDB_CODE
Molecular Weight (g/mol)472.58
XLogP3-AA4.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Complexity770
Topological Polar Surface Area (A^2)87.1
Heavy Atom Count34
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.1052109
Predicted Log 10(IC50) values3.7582652
2D Structure


Record No:216


DB_ACCESS_NUMBERPPIM0216
CID71460687
CHEMBL_IDCHEMBL2171163
NSC_ID
PDB_CODE
Molecular Weight (g/mol)428.52
XLogP3-AA4.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity695
Topological Polar Surface Area (A^2)77.8
Heavy Atom Count31
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.2831123
Predicted Log 10(IC50) values5.3582627
2D Structure


Record No:217


DB_ACCESS_NUMBERPPIM0217
CID71453509
CHEMBL_IDCHEMBL2171164
NSC_ID
PDB_CODE
Molecular Weight (g/mol)568.67
XLogP3-AA4.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Complexity1060
Topological Polar Surface Area (A^2)119
Heavy Atom Count41
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score0.99990997
Predicted Log 10(IC50) values3.0716235
2D Structure


Record No:218


DB_ACCESS_NUMBERPPIM0218
CID71451681
CHEMBL_IDCHEMBL2171165
NSC_ID
PDB_CODE
Molecular Weight (g/mol)468.55
XLogP3-AA2.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Complexity831
Topological Polar Surface Area (A^2)101
Heavy Atom Count34
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score0.99979291
Predicted Log 10(IC50) values3.3941447
2D Structure


Record No:219


DB_ACCESS_NUMBERPPIM0219
CID71455226
CHEMBL_IDCHEMBL2171166
NSC_ID
PDB_CODE
Molecular Weight (g/mol)368.43
XLogP3-AA1.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Complexity615
Topological Polar Surface Area (A^2)85.5
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.3931953
Predicted Log 10(IC50) values5.0372193
2D Structure


Record No:220


DB_ACCESS_NUMBERPPIM0220
CID71458876
CHEMBL_IDCHEMBL2171167
NSC_ID
PDB_CODE
Molecular Weight (g/mol)424.54
XLogP3-AA3.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity670
Topological Polar Surface Area (A^2)85.5
Heavy Atom Count31
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.0003711
Predicted Log 10(IC50) values4.930512
2D Structure


Record No:221


DB_ACCESS_NUMBERPPIM0221
CID71453521
CHEMBL_IDCHEMBL2171336
NSC_ID
PDB_CODE
Molecular Weight (g/mol)302.33
XLogP3-AA2.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity442
Topological Polar Surface Area (A^2)71.6
Heavy Atom Count22
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.0001572
Predicted Log 10(IC50) values2.9127087
2D Structure


Record No:222


DB_ACCESS_NUMBERPPIM0222
CID71457027
CHEMBL_IDCHEMBL2171337
NSC_ID
PDB_CODE
Molecular Weight (g/mol)316.35
XLogP3-AA2.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity470
Topological Polar Surface Area (A^2)60.8
Heavy Atom Count23
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.0987057
Predicted Log 10(IC50) values2.9340633
2D Structure


Record No:223


DB_ACCESS_NUMBERPPIM0223
CID71460697
CHEMBL_IDCHEMBL2171338
NSC_ID
PDB_CODE
Molecular Weight (g/mol)402.44
XLogP3-AA3.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Complexity646
Topological Polar Surface Area (A^2)87.1
Heavy Atom Count29
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.0346933
Predicted Log 10(IC50) values4.700276
2D Structure


Record No:224


DB_ACCESS_NUMBERPPIM0224
CID71462408
CHEMBL_IDCHEMBL2171339
NSC_ID
PDB_CODE
Molecular Weight (g/mol)378.42
XLogP3-AA3.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Complexity563
Topological Polar Surface Area (A^2)71.6
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score0.99989016
Predicted Log 10(IC50) values3.4788153
2D Structure


Record No:225


DB_ACCESS_NUMBERPPIM0225
CID11110420
CHEMBL_IDCHEMBL2171340
NSC_ID
PDB_CODE
Molecular Weight (g/mol)334.41
XLogP3-AA3.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Complexity463
Topological Polar Surface Area (A^2)45.3
Heavy Atom Count25
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.0002666
Predicted Log 10(IC50) values3.2921484
2D Structure


Record No:226


DB_ACCESS_NUMBERPPIM0226
CID71458885
CHEMBL_IDCHEMBL2171341
NSC_ID
PDB_CODE
Molecular Weight (g/mol)358.43
XLogP3-AA3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Complexity544
Topological Polar Surface Area (A^2)60.8
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.4312245
Predicted Log 10(IC50) values3.6753593
2D Structure


Record No:227


DB_ACCESS_NUMBERPPIM0227
CID44613854
CHEMBL_IDCHEMBL2171342
NSC_ID
PDB_CODE
Molecular Weight (g/mol)246.31
XLogP3-AA1.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity283
Topological Polar Surface Area (A^2)46.3
Heavy Atom Count18
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score-0.78428322
Predicted Log 10(IC50) values4.3218612
2D Structure


Record No:228


DB_ACCESS_NUMBERPPIM0228
CID71451688
CHEMBL_IDCHEMBL2171343
NSC_ID
PDB_CODE
Molecular Weight (g/mol)404.46
XLogP3-AA2.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Complexity603
Topological Polar Surface Area (A^2)79.2
Heavy Atom Count29
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.2142342
Predicted Log 10(IC50) values3.6034252
2D Structure


Record No:229


DB_ACCESS_NUMBERPPIM0229
CID71451689
CHEMBL_IDCHEMBL2171344
NSC_ID
PDB_CODE
Molecular Weight (g/mol)326.35
XLogP3-AA0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Complexity556
Topological Polar Surface Area (A^2)85.5
Heavy Atom Count24
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.1163722
Predicted Log 10(IC50) values4.964321
2D Structure


Record No:230


DB_ACCESS_NUMBERPPIM0230
CID71451690
CHEMBL_IDCHEMBL2171345
NSC_ID
PDB_CODE
Molecular Weight (g/mol)324.34
XLogP3-AA1.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Complexity595
Topological Polar Surface Area (A^2)85.5
Heavy Atom Count24
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score0.90233677
Predicted Log 10(IC50) values5.9115365
2D Structure


Record No:231


DB_ACCESS_NUMBERPPIM0231
CID71449875
CHEMBL_IDCHEMBL2171346
NSC_ID
PDB_CODE
Molecular Weight (g/mol)322.32
XLogP3-AA1.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Complexity556
Topological Polar Surface Area (A^2)86.4
Heavy Atom Count24
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score1.0007691
Predicted Log 10(IC50) values4.9787557
2D Structure


Record No:232


DB_ACCESS_NUMBERPPIM0232
CID44613855
CHEMBL_IDCHEMBL2171347
NSC_ID
PDB_CODE
Molecular Weight (g/mol)242.27
XLogP3-AA2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity283
Topological Polar Surface Area (A^2)47.1
Heavy Atom Count18
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score-0.68038881
Predicted Log 10(IC50) values4.3679539
2D Structure


Record No:233


DB_ACCESS_NUMBERPPIM0233
CID5317375
CHEMBL_IDCHEMBL2171348
NSC_IDNSC149850
PDB_CODE
Molecular Weight (g/mol)196.20
XLogP3-AA2.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Complexity256
Topological Polar Surface Area (A^2)45.8
Heavy Atom Count15
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (treating or preventing HIV infections, and various cancers)
Off TargetsPTPN1
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID22832321
Protein-Protein Interaction Modulator SVM score-0.49311716
Predicted Log 10(IC50) values4.8551239
2D Structure


Record No:234


DB_ACCESS_NUMBERPPIM0234
CID56591348
CHEMBL_IDCHEMBL2177203
NSC_ID
PDB_CODE
Molecular Weight (g/mol)432.34
XLogP3-AA4.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Complexity603
Topological Polar Surface Area (A^2)57.6
Heavy Atom Count29
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)76
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID23597064
Protein-Protein Interaction Modulator SVM score1.2123349
Predicted Log 10(IC50) values3.3615413
2D Structure


Record No:235


DB_ACCESS_NUMBERPPIM0235
CID56591370
CHEMBL_IDCHEMBL2177813
NSC_ID
PDB_CODE
Molecular Weight (g/mol)432.34
XLogP3-AA4.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Complexity603
Topological Polar Surface Area (A^2)57.6
Heavy Atom Count29
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)34
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer)
Off TargetsMdm4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID23597064
Protein-Protein Interaction Modulator SVM score1.2123349
Predicted Log 10(IC50) values3.3615413
2D Structure


Record No:236


DB_ACCESS_NUMBERPPIM0236
CID71453812
CHEMBL_IDCHEMBL2180122
NSC_ID
PDB_CODE
Molecular Weight (g/mol)508.41
XLogP3-AA4.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Complexity726
Topological Polar Surface Area (A^2)64.4
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)8720
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsMdm4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID24813735
Protein-Protein Interaction Modulator SVM score0.9882274
Predicted Log 10(IC50) values3.1634199
2D Structure


Record No:237


DB_ACCESS_NUMBERPPIM0237
CID44421706
CHEMBL_IDCHEMBL223723
NSC_ID
PDB_CODE
Molecular Weight (g/mol)375.28
XLogP3-AA3.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Complexity710
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)13100
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID24113239
Protein-Protein Interaction Modulator SVM score1.1893836
Predicted Log 10(IC50) values4.5027574
2D Structure


Record No:238


DB_ACCESS_NUMBERPPIM0238
CID1883338
CHEMBL_IDCHEMBL224408
NSC_ID
PDB_CODE
Molecular Weight (g/mol)358.17
XLogP3-AA3.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Complexity625
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count24
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID24113239
Protein-Protein Interaction Modulator SVM score1.5885772
Predicted Log 10(IC50) values5.0735515
2D Structure


Record No:239


DB_ACCESS_NUMBERPPIM0239
CID44421777
CHEMBL_IDCHEMBL225454
NSC_ID
PDB_CODE
Molecular Weight (g/mol)375.28
XLogP3-AA3.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Complexity718
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)19600
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID24113239
Protein-Protein Interaction Modulator SVM score1.0293788
Predicted Log 10(IC50) values4.3452927
2D Structure


Record No:240


DB_ACCESS_NUMBERPPIM0240
CID69498032
CHEMBL_IDCHEMBL2347375
NSC_ID
PDB_CODE
Molecular Weight (g/mol)577.52
XLogP3-AA4.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Complexity900
Topological Polar Surface Area (A^2)82.7
Heavy Atom Count39
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)9.4
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (therapeutics for the treatment of cancer and other diseases)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID23597064
Protein-Protein Interaction Modulator SVM score1.303682
Predicted Log 10(IC50) values1.9521569
2D Structure


Record No:241


DB_ACCESS_NUMBERPPIM0241
CID71663864
CHEMBL_IDCHEMBL2347376
NSC_ID
PDB_CODE
Molecular Weight (g/mol)434.31
XLogP3-AA4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Complexity606
Topological Polar Surface Area (A^2)66.8
Heavy Atom Count29
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)290
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID23597064
Protein-Protein Interaction Modulator SVM score1.2408709
Predicted Log 10(IC50) values3.256204
2D Structure


Record No:242


DB_ACCESS_NUMBERPPIM0242
CID71544022
CHEMBL_IDCHEMBL2347377
NSC_ID
PDB_CODE
Molecular Weight (g/mol)434.31
XLogP3-AA4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Complexity606
Topological Polar Surface Area (A^2)66.8
Heavy Atom Count29
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)140
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID23597064
Protein-Protein Interaction Modulator SVM score1.2408709
Predicted Log 10(IC50) values3.256204
2D Structure


Record No:243


DB_ACCESS_NUMBERPPIM0243
CID71716517
CHEMBL_IDCHEMBL2347378
NSC_ID
PDB_CODE
Molecular Weight (g/mol)432.34
XLogP3-AA4.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Complexity603
Topological Polar Surface Area (A^2)57.6
Heavy Atom Count29
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2900
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID23597064
Protein-Protein Interaction Modulator SVM score1.2123349
Predicted Log 10(IC50) values3.3615413
2D Structure


Record No:244


DB_ACCESS_NUMBERPPIM0244
CID71717127
CHEMBL_IDCHEMBL2347379
NSC_ID
PDB_CODE
Molecular Weight (g/mol)432.34
XLogP3-AA4.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Complexity603
Topological Polar Surface Area (A^2)57.6
Heavy Atom Count29
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)8100
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID23597064
Protein-Protein Interaction Modulator SVM score1.2123349
Predicted Log 10(IC50) values3.3615413
2D Structure


Record No:245


DB_ACCESS_NUMBERPPIM0245
CID71663334
CHEMBL_IDCHEMBL2347380
NSC_ID
PDB_CODE
Molecular Weight (g/mol)533.23
XLogP3-AA5.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity570
Topological Polar Surface Area (A^2)29.5
Heavy Atom Count30
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1800
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID23597064
Protein-Protein Interaction Modulator SVM score0.22292483
Predicted Log 10(IC50) values3.77176
2D Structure


Record No:246


DB_ACCESS_NUMBERPPIM0246
CID71663335
CHEMBL_IDCHEMBL2347381
NSC_ID
PDB_CODE
Molecular Weight (g/mol)545.27
XLogP3-AA5.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Complexity581
Topological Polar Surface Area (A^2)38.8
Heavy Atom Count31
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1900
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID23597064
Protein-Protein Interaction Modulator SVM score0.64167003
Predicted Log 10(IC50) values3.5101515
2D Structure


Record No:247


DB_ACCESS_NUMBERPPIM0247
CID71663336
CHEMBL_IDCHEMBL2347382
NSC_ID
PDB_CODE
Molecular Weight (g/mol)545.27
XLogP3-AA5.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Complexity589
Topological Polar Surface Area (A^2)38.8
Heavy Atom Count31
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2100
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID23597064
Protein-Protein Interaction Modulator SVM score0.9263622
Predicted Log 10(IC50) values3.2216009
2D Structure


Record No:248


DB_ACCESS_NUMBERPPIM0248
CID71305072
CHEMBL_IDCHEMBL2347383
NSC_ID
PDB_CODE
Molecular Weight (g/mol)530.41
XLogP3-AA6.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Complexity733
Topological Polar Surface Area (A^2)66.8
Heavy Atom Count36
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)86
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsMdm4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID23597064
Protein-Protein Interaction Modulator SVM score0.75627682
Predicted Log 10(IC50) values2.9548295
2D Structure


Record No:249


DB_ACCESS_NUMBERPPIM0249
CID71663525
CHEMBL_IDCHEMBL2347384
NSC_ID
PDB_CODE
Molecular Weight (g/mol)336.21
XLogP3-AA3.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Complexity398
Topological Polar Surface Area (A^2)29.5
Heavy Atom Count22
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)11700
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.10868698
Predicted Log 10(IC50) values4.3658231
2D Structure


Record No:250


DB_ACCESS_NUMBERPPIM0250
CID71663526
CHEMBL_IDCHEMBL2347385
NSC_ID
PDB_CODE
Molecular Weight (g/mol)376.27
XLogP3-AA4.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Complexity476
Topological Polar Surface Area (A^2)29.5
Heavy Atom Count25
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1800
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID23597064
Protein-Protein Interaction Modulator SVM score0.79201887
Predicted Log 10(IC50) values3.3551588
2D Structure


Record No:251


DB_ACCESS_NUMBERPPIM0251
CID71663527
CHEMBL_IDCHEMBL2347386
NSC_ID
PDB_CODE
Molecular Weight (g/mol)336.21
XLogP3-AA3.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Complexity398
Topological Polar Surface Area (A^2)29.5
Heavy Atom Count22
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)30000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID23597064
Protein-Protein Interaction Modulator SVM score0.026705221
Predicted Log 10(IC50) values4.3763684
2D Structure


Record No:252


DB_ACCESS_NUMBERPPIM0252
CID71663528
CHEMBL_IDCHEMBL2347387
NSC_ID
PDB_CODE
Molecular Weight (g/mol)416.34
XLogP3-AA5.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Complexity559
Topological Polar Surface Area (A^2)29.5
Heavy Atom Count28
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1400
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1021672
Predicted Log 10(IC50) values3.2460158
2D Structure


Record No:253


DB_ACCESS_NUMBERPPIM0253
CID71663529
CHEMBL_IDCHEMBL2347388
NSC_ID
PDB_CODE
Molecular Weight (g/mol)420.33
XLogP3-AA4.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Complexity536
Topological Polar Surface Area (A^2)49.8
Heavy Atom Count28
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)880
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2052125
Predicted Log 10(IC50) values2.8435967
2D Structure


Record No:254


DB_ACCESS_NUMBERPPIM0254
CID71663696
CHEMBL_IDCHEMBL2347389
NSC_ID
PDB_CODE
Molecular Weight (g/mol)434.31
XLogP3-AA4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Complexity606
Topological Polar Surface Area (A^2)66.8
Heavy Atom Count29
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsMdm4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2408709
Predicted Log 10(IC50) values3.256204
2D Structure


Record No:255


DB_ACCESS_NUMBERPPIM0255
CID71663697
CHEMBL_IDCHEMBL2347390
NSC_ID
PDB_CODE
Molecular Weight (g/mol)433.37
XLogP3-AA4.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Complexity551
Topological Polar Surface Area (A^2)41.6
Heavy Atom Count29
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)9900
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.97366061
Predicted Log 10(IC50) values3.1886602
2D Structure


Record No:256


DB_ACCESS_NUMBERPPIM0256
CID71663698
CHEMBL_IDCHEMBL2347391
NSC_ID
PDB_CODE
Molecular Weight (g/mol)448.34
XLogP3-AA4.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity620
Topological Polar Surface Area (A^2)66.8
Heavy Atom Count30
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1300
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1735309
Predicted Log 10(IC50) values3.2114754
2D Structure


Record No:257


DB_ACCESS_NUMBERPPIM0257
CID71663699
CHEMBL_IDCHEMBL2347392
NSC_ID
PDB_CODE
Molecular Weight (g/mol)434.31
XLogP3-AA4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Complexity606
Topological Polar Surface Area (A^2)66.8
Heavy Atom Count29
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)7400
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2408709
Predicted Log 10(IC50) values3.256204
2D Structure


Record No:258


DB_ACCESS_NUMBERPPIM0258
CID71305074
CHEMBL_IDCHEMBL2347393
NSC_ID
PDB_CODE
Molecular Weight (g/mol)452.32
XLogP3-AA3.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity598
Topological Polar Surface Area (A^2)87.1
Heavy Atom Count30
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)610
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.08398754
Predicted Log 10(IC50) values2.685306
2D Structure


Record No:259


DB_ACCESS_NUMBERPPIM0259
CID44549764
CHEMBL_IDCHEMBL2347394
NSC_ID
PDB_CODE
Molecular Weight (g/mol)580.28
XLogP3-AA6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Complexity768
Topological Polar Surface Area (A^2)52.4
Heavy Atom Count34
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)70
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5575274
Predicted Log 10(IC50) values4.681719
2D Structure


Record No:260


DB_ACCESS_NUMBERPPIM0260
CID71717752
CHEMBL_IDCHEMBL2347395
NSC_ID
PDB_CODE
Molecular Weight (g/mol)453.35
XLogP3-AA6.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Complexity635
Topological Polar Surface Area (A^2)35.5
Heavy Atom Count31
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)30000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.60699357
Predicted Log 10(IC50) values3.9026467
2D Structure


Record No:261


DB_ACCESS_NUMBERPPIM0261
CID71720163
CHEMBL_IDCHEMBL2347396
NSC_ID
PDB_CODE
Molecular Weight (g/mol)510.22
XLogP3-AA4.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity565
Topological Polar Surface Area (A^2)58.6
Heavy Atom Count28
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)30000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.49229188
Predicted Log 10(IC50) values4.3771379
2D Structure


Record No:262


DB_ACCESS_NUMBERPPIM0262
CID71717128
CHEMBL_IDCHEMBL2347397
NSC_ID
PDB_CODE
Molecular Weight (g/mol)362.33
XLogP3-AA6.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Complexity370
Topological Polar Surface Area (A^2)12
Heavy Atom Count24
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)14100
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.71553906
Predicted Log 10(IC50) values4.2493092
2D Structure


Record No:263


DB_ACCESS_NUMBERPPIM0263
CID71663150
CHEMBL_IDCHEMBL2347398
NSC_ID
PDB_CODE
Molecular Weight (g/mol)425.12
XLogP3-AA3.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Complexity390
Topological Polar Surface Area (A^2)29.5
Heavy Atom Count22
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)5400
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.99802659
Predicted Log 10(IC50) values3.6323368
2D Structure


Record No:264


DB_ACCESS_NUMBERPPIM0264
CID71305070
CHEMBL_IDCHEMBL2347399
NSC_ID
PDB_CODE
Molecular Weight (g/mol)515.24
XLogP3-AA5.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Complexity537
Topological Polar Surface Area (A^2)29.5
Heavy Atom Count29
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsMdm4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.62796096
Predicted Log 10(IC50) values4.3763646
2D Structure


Record No:265


DB_ACCESS_NUMBERPPIM0265
CID71663151
CHEMBL_IDCHEMBL2347400
NSC_ID
PDB_CODE
Molecular Weight (g/mol)501.26
XLogP3-AA6.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Complexity467
Topological Polar Surface Area (A^2)12.5
Heavy Atom Count28
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)30000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.9731431
Predicted Log 10(IC50) values4.3770213
2D Structure


Record No:266


DB_ACCESS_NUMBERPPIM0266
CID71305071
CHEMBL_IDCHEMBL2347401
NSC_ID
PDB_CODE
Molecular Weight (g/mol)426.33
XLogP3-AA5.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Complexity537
Topological Polar Surface Area (A^2)29.5
Heavy Atom Count29
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1800
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0509406
Predicted Log 10(IC50) values3.3334024
2D Structure


Record No:267


DB_ACCESS_NUMBERPPIM0267
CID71663332
CHEMBL_IDCHEMBL2347402
NSC_ID
PDB_CODE
Molecular Weight (g/mol)515.24
XLogP3-AA5.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Complexity537
Topological Polar Surface Area (A^2)29.5
Heavy Atom Count29
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)30000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.62796096
Predicted Log 10(IC50) values4.3763646
2D Structure


Record No:268


DB_ACCESS_NUMBERPPIM0268
CID71663333
CHEMBL_IDCHEMBL2347403
NSC_ID
PDB_CODE
Molecular Weight (g/mol)594.14
XLogP3-AA6.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Complexity567
Topological Polar Surface Area (A^2)29.5
Heavy Atom Count30
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.97891829
Predicted Log 10(IC50) values3.2761509
2D Structure


Record No:269


DB_ACCESS_NUMBERPPIM0269
CID10078330
CHEMBL_IDCHEMBL2381406
NSC_ID
PDB_CODE
Molecular Weight (g/mol)686.44
XLogP3-AA4.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Complexity872
Topological Polar Surface Area (A^2)77.8
Heavy Atom Count41
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Biomarker for Mdm2 inhibitors and useful for the treatment of cancer &A Safety and Efficacy Stu
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0428053
Predicted Log 10(IC50) values3.7965384
2D Structure


Record No:270


DB_ACCESS_NUMBERPPIM0270
CID53476877
CHEMBL_IDCHEMBL2381408
NSC_ID
PDB_CODE
Molecular Weight (g/mol)562.50
XLogP3-AA5.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity895
Topological Polar Surface Area (A^2)90.5
Heavy Atom Count38
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Biomarker for Mdm2 inhibitors and useful for the treatment of cancer &A Safety and Efficacy Stu
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5349021
Predicted Log 10(IC50) values1.5310994
2D Structure


Record No:271


DB_ACCESS_NUMBERPPIM0271
CID57406853
CHEMBL_IDCHEMBL2386346
NSC_ID
PDB_CODE
Molecular Weight (g/mol)727.78
XLogP3-AA7.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity1260
Topological Polar Surface Area (A^2)90.9
Heavy Atom Count49
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)18
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.1405642
Predicted Log 10(IC50) values1.3551659
2D Structure


Record No:272


DB_ACCESS_NUMBERPPIM0272
CID1114145
CHEMBL_IDCHEMBL239274
NSC_IDNSC729132
PDB_CODE
Molecular Weight (g/mol)368.73
XLogP3-AA2.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Complexity708
Topological Polar Surface Area (A^2)108
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)49000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0284341
Predicted Log 10(IC50) values4.7989172
2D Structure


Record No:273


DB_ACCESS_NUMBERPPIM0273
CID53477213
CHEMBL_IDCHEMBL2396674
NSC_ID
PDB_CODE
Molecular Weight (g/mol)548.48
XLogP3-AA4.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity910
Topological Polar Surface Area (A^2)90.5
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)5.6
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Biomarker for Mdm2 inhibitors and useful for the treatment of cancer &A Safety and Efficacy Stu
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4477033
Predicted Log 10(IC50) values1.7290701
2D Structure


Record No:274


DB_ACCESS_NUMBERPPIM0274
CID73347446
CHEMBL_IDCHEMBL2396744
NSC_ID
PDB_CODE
Molecular Weight (g/mol)581.18
XLogP3-AA5.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity725
Topological Polar Surface Area (A^2)86.7
Heavy Atom Count32
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1736571
Predicted Log 10(IC50) values2.6896732
2D Structure


Record No:275


DB_ACCESS_NUMBERPPIM0275
CID73345928
CHEMBL_IDCHEMBL2396745
NSC_ID
PDB_CODE
Molecular Weight (g/mol)477.89
XLogP3-AA4.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Complexity737
Topological Polar Surface Area (A^2)103
Heavy Atom Count33
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.99892156
Predicted Log 10(IC50) values4.0314216
2D Structure


Record No:276


DB_ACCESS_NUMBERPPIM0276
CID71723197
CHEMBL_IDCHEMBL2396746
NSC_ID
PDB_CODE
Molecular Weight (g/mol)419.90
XLogP3-AA4.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Complexity589
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count30
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1153695
Predicted Log 10(IC50) values3.0652029
2D Structure


Record No:277


DB_ACCESS_NUMBERPPIM0277
CID71722565
CHEMBL_IDCHEMBL2396747
NSC_ID
PDB_CODE
Molecular Weight (g/mol)397.90
XLogP3-AA4.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Complexity560
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3476423
Predicted Log 10(IC50) values2.8362463
2D Structure


Record No:278


DB_ACCESS_NUMBERPPIM0278
CID71722566
CHEMBL_IDCHEMBL2396748
NSC_ID
PDB_CODE
Molecular Weight (g/mol)371.86
XLogP3-AA3.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Complexity528
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2868814
Predicted Log 10(IC50) values2.8555122
2D Structure


Record No:279


DB_ACCESS_NUMBERPPIM0279
CID71722567
CHEMBL_IDCHEMBL2396749
NSC_ID
PDB_CODE
Molecular Weight (g/mol)363.88
XLogP3-AA4.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Complexity493
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count25
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.75550372
Predicted Log 10(IC50) values2.418304
2D Structure


Record No:280


DB_ACCESS_NUMBERPPIM0280
CID71722568
CHEMBL_IDCHEMBL2396750
NSC_ID
PDB_CODE
Molecular Weight (g/mol)405.88
XLogP3-AA4.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Complexity575
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count29
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3211795
Predicted Log 10(IC50) values2.9783521
2D Structure


Record No:281


DB_ACCESS_NUMBERPPIM0281
CID71722713
CHEMBL_IDCHEMBL2396751
NSC_ID
PDB_CODE
Molecular Weight (g/mol)418.31
XLogP3-AA4.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Complexity576
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3091749
Predicted Log 10(IC50) values2.7925613
2D Structure


Record No:282


DB_ACCESS_NUMBERPPIM0282
CID71722714
CHEMBL_IDCHEMBL2396752
NSC_ID
PDB_CODE
Molecular Weight (g/mol)392.28
XLogP3-AA4.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Complexity523
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.92299824
Predicted Log 10(IC50) values2.388052
2D Structure


Record No:283


DB_ACCESS_NUMBERPPIM0283
CID71722715
CHEMBL_IDCHEMBL2396753
NSC_ID
PDB_CODE
Molecular Weight (g/mol)452.76
XLogP3-AA5.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Complexity616
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count29
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3478107
Predicted Log 10(IC50) values3.0585245
2D Structure


Record No:284


DB_ACCESS_NUMBERPPIM0284
CID71722716
CHEMBL_IDCHEMBL2396754
NSC_ID
PDB_CODE
Molecular Weight (g/mol)433.93
XLogP3-AA5.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Complexity667
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count31
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2927153
Predicted Log 10(IC50) values5.0022641
2D Structure


Record No:285


DB_ACCESS_NUMBERPPIM0285
CID71722717
CHEMBL_IDCHEMBL2396755
NSC_ID
PDB_CODE
Molecular Weight (g/mol)451.87
XLogP3-AA5.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Complexity663
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count31
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3440683
Predicted Log 10(IC50) values4.0470596
2D Structure


Record No:286


DB_ACCESS_NUMBERPPIM0286
CID71722718
CHEMBL_IDCHEMBL2396756
NSC_ID
PDB_CODE
Molecular Weight (g/mol)462.77
XLogP3-AA4.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Complexity578
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.55329474
Predicted Log 10(IC50) values3.2231156
2D Structure


Record No:287


DB_ACCESS_NUMBERPPIM0287
CID71722860
CHEMBL_IDCHEMBL2396757
NSC_ID
PDB_CODE
Molecular Weight (g/mol)401.86
XLogP3-AA4.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity578
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5575255
Predicted Log 10(IC50) values3.1066826
2D Structure


Record No:288


DB_ACCESS_NUMBERPPIM0288
CID71722862
CHEMBL_IDCHEMBL2396758
NSC_ID
PDB_CODE
Molecular Weight (g/mol)375.82
XLogP3-AA3.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Complexity525
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2074686
Predicted Log 10(IC50) values2.6912315
2D Structure


Record No:289


DB_ACCESS_NUMBERPPIM0289
CID71722863
CHEMBL_IDCHEMBL2396759
NSC_ID
PDB_CODE
Molecular Weight (g/mol)458.38
XLogP3-AA5.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Complexity686
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count31
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2541171
Predicted Log 10(IC50) values4.1797594
2D Structure


Record No:290


DB_ACCESS_NUMBERPPIM0290
CID72714998
CHEMBL_IDCHEMBL2397153
NSC_ID
PDB_CODE
Molecular Weight (g/mol)981.15
XLogP3-AA4.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count29
Complexity1710
Topological Polar Surface Area (A^2)301
Heavy Atom Count70
Defined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)21300
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.59835216
Predicted Log 10(IC50) values4.2283317
2D Structure


Record No:291


DB_ACCESS_NUMBERPPIM0291
CID72714997
CHEMBL_IDCHEMBL2397154
NSC_ID
PDB_CODE
Molecular Weight (g/mol)988.20
XLogP3-AA5.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count26
Complexity1780
Topological Polar Surface Area (A^2)354
Heavy Atom Count67
Defined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)22200
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-1.8205544
Predicted Log 10(IC50) values4.2459376
2D Structure


Record No:292


DB_ACCESS_NUMBERPPIM0292
CID73348988
CHEMBL_IDCHEMBL2397155
NSC_ID
PDB_CODE
Molecular Weight (g/mol)904.09
XLogP3-AA5.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count22
Complexity1690
Topological Polar Surface Area (A^2)255
Heavy Atom Count64
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)8510
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.99981219
Predicted Log 10(IC50) values3.8296511
2D Structure


Record No:293


DB_ACCESS_NUMBERPPIM0293
CID69498017
CHEMBL_IDCHEMBL2398472
NSC_ID
PDB_CODE
Molecular Weight (g/mol)552.46
XLogP3-AA3.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Complexity845
Topological Polar Surface Area (A^2)111
Heavy Atom Count37
Defined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)9.8
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0066955
Predicted Log 10(IC50) values1.0917636
2D Structure


Record No:294


DB_ACCESS_NUMBERPPIM0294
CID71747669
CHEMBL_IDCHEMBL2398473
NSC_ID
PDB_CODE
Molecular Weight (g/mol)534.45
XLogP3-AA4.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity866
Topological Polar Surface Area (A^2)90.5
Heavy Atom Count36
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)7.1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score2.0351916
Predicted Log 10(IC50) values2.1309625
2D Structure


Record No:295


DB_ACCESS_NUMBERPPIM0295
CID71747669
CHEMBL_IDCHEMBL2398474
NSC_ID
PDB_CODE
Molecular Weight (g/mol)534.45
XLogP3-AA4.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity866
Topological Polar Surface Area (A^2)90.5
Heavy Atom Count36
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)8.2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score2.0351916
Predicted Log 10(IC50) values2.1309625
2D Structure


Record No:296


DB_ACCESS_NUMBERPPIM0296
CID71747852
CHEMBL_IDCHEMBL2398475
NSC_ID
PDB_CODE
Molecular Weight (g/mol)548.48
XLogP3-AA4.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity887
Topological Polar Surface Area (A^2)90.5
Heavy Atom Count37
Defined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)8.8
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.8137614
Predicted Log 10(IC50) values1.5321026
2D Structure


Record No:297


DB_ACCESS_NUMBERPPIM0297
CID71747853
CHEMBL_IDCHEMBL2398476
NSC_ID
PDB_CODE
Molecular Weight (g/mol)548.48
XLogP3-AA4.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity887
Topological Polar Surface Area (A^2)90.5
Heavy Atom Count37
Defined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)8.4
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.8137614
Predicted Log 10(IC50) values1.5321026
2D Structure


Record No:298


DB_ACCESS_NUMBERPPIM0298
CID71747854
CHEMBL_IDCHEMBL2398477
NSC_ID
PDB_CODE
Molecular Weight (g/mol)536.46
XLogP3-AA4.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity853
Topological Polar Surface Area (A^2)90.5
Heavy Atom Count36
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)16.3
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.9698409
Predicted Log 10(IC50) values2.2146129
2D Structure


Record No:299


DB_ACCESS_NUMBERPPIM0299
CID53477213
CHEMBL_IDCHEMBL2398478
NSC_ID
PDB_CODE
Molecular Weight (g/mol)548.48
XLogP3-AA4.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Complexity910
Topological Polar Surface Area (A^2)90.5
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)11.1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes( Biomarker for Mdm2 inhibitors and useful for the treatment of cancer &A Safety and Efficacy Stu
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4477033
Predicted Log 10(IC50) values1.7290701
2D Structure


Record No:300


DB_ACCESS_NUMBERPPIM0300
CID71745133
CHEMBL_IDCHEMBL2398479
NSC_ID
PDB_CODE
Molecular Weight (g/mol)611.55
XLogP3-AA4.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Complexity1090
Topological Polar Surface Area (A^2)125
Heavy Atom Count40
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)7.6
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.98877482
Predicted Log 10(IC50) values0.72287567
2D Structure


Record No:301


DB_ACCESS_NUMBERPPIM0301
CID45139212
CHEMBL_IDCHEMBL2402573
NSC_ID
PDB_CODE
Molecular Weight (g/mol)518.47
XLogP3-AA4.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity759
Topological Polar Surface Area (A^2)105
Heavy Atom Count35
Defined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)196
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.86912016
Predicted Log 10(IC50) values3.6703698
2D Structure


Record No:302


DB_ACCESS_NUMBERPPIM0302
CID59249286
CHEMBL_IDCHEMBL2402574
NSC_ID
PDB_CODE
Molecular Weight (g/mol)554.46
XLogP3-AA4.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Complexity837
Topological Polar Surface Area (A^2)105
Heavy Atom Count37
Defined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)74
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0169449
Predicted Log 10(IC50) values1.7551325
2D Structure


Record No:303


DB_ACCESS_NUMBERPPIM0303
CID45138355
CHEMBL_IDCHEMBL2402729
NSC_ID
PDB_CODE
Molecular Weight (g/mol)604.52
XLogP3-AA5.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Complexity990
Topological Polar Surface Area (A^2)103
Heavy Atom Count41
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)56
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3783278
Predicted Log 10(IC50) values0.47375377
2D Structure


Record No:304


DB_ACCESS_NUMBERPPIM0304
CID59249253
CHEMBL_IDCHEMBL2402730
NSC_ID
PDB_CODE
Molecular Weight (g/mol)586.46
XLogP3-AA4.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Complexity987
Topological Polar Surface Area (A^2)102
Heavy Atom Count40
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)42
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3866579
Predicted Log 10(IC50) values1.2215077
2D Structure


Record No:305


DB_ACCESS_NUMBERPPIM0305
CID45139217
CHEMBL_IDCHEMBL2402731
NSC_ID
PDB_CODE
Molecular Weight (g/mol)586.46
XLogP3-AA4.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Complexity979
Topological Polar Surface Area (A^2)102
Heavy Atom Count40
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)22
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4170871
Predicted Log 10(IC50) values0.96218937
2D Structure


Record No:306


DB_ACCESS_NUMBERPPIM0306
CID53358566
CHEMBL_IDCHEMBL2402732
NSC_ID
PDB_CODE
Molecular Weight (g/mol)587.44
XLogP3-AA3.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Complexity990
Topological Polar Surface Area (A^2)115
Heavy Atom Count40
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)23
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combination therapy of an anti-CD20 antibody with a Bcl-2 inhibitor and a MDM2 inhibitor)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0010709
Predicted Log 10(IC50) values0.74005783
2D Structure


Record No:307


DB_ACCESS_NUMBERPPIM0307
CID59249677
CHEMBL_IDCHEMBL2402733
NSC_ID
PDB_CODE
Molecular Weight (g/mol)636.52
XLogP3-AA5.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Complexity1110
Topological Polar Surface Area (A^2)102
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)22
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.4085982
Predicted Log 10(IC50) values1.0824865
2D Structure


Record No:308


DB_ACCESS_NUMBERPPIM0308
CID59249270
CHEMBL_IDCHEMBL2402734
NSC_ID
PDB_CODE
Molecular Weight (g/mol)616.48
XLogP3-AA4.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Complexity1040
Topological Polar Surface Area (A^2)111
Heavy Atom Count42
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)20
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.87341619
Predicted Log 10(IC50) values0.6778581
2D Structure


Record No:309


DB_ACCESS_NUMBERPPIM0309
CID53358687
CHEMBL_IDCHEMBL2402735
NSC_ID
PDB_CODE
Molecular Weight (g/mol)604.45
XLogP3-AA4.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Complexity1020
Topological Polar Surface Area (A^2)102
Heavy Atom Count41
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)21
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combination therapy of an anti-CD20 antibody with a Bcl-2 inhibitor and a MDM2 inhibitor)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.318632
Predicted Log 10(IC50) values1.3045219
2D Structure


Record No:310


DB_ACCESS_NUMBERPPIM0310
CID53358688
CHEMBL_IDCHEMBL2402736
NSC_ID
PDB_CODE
Molecular Weight (g/mol)604.45
XLogP3-AA4.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Complexity1020
Topological Polar Surface Area (A^2)102
Heavy Atom Count41
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)25
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combination therapy of an anti-CD20 antibody with a Bcl-2 inhibitor and a MDM2 inhibitor)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.318632
Predicted Log 10(IC50) values1.3045219
2D Structure


Record No:311


DB_ACCESS_NUMBERPPIM0311
CID53358942
CHEMBL_IDCHEMBL2402737
NSC_ID
PDB_CODE
Molecular Weight (g/mol)616.48
XLogP3-AA4.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Complexity1040
Topological Polar Surface Area (A^2)111
Heavy Atom Count42
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)6
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes ( as A drug in Clinical Trials FDA UNII)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.87341619
Predicted Log 10(IC50) values0.6778581
2D Structure


Record No:312


DB_ACCESS_NUMBERPPIM0312
CID71818716
CHEMBL_IDCHEMBL2420495
NSC_ID
PDB_CODE
Molecular Weight (g/mol)323.73
XLogP3-AA3.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Complexity595
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count23
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)200000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsAPEX1, TDP1, TDP2
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.81493394
Predicted Log 10(IC50) values5.2009975
2D Structure


Record No:313


DB_ACCESS_NUMBERPPIM0313
CID66555775
CHEMBL_IDCHEMBL2430323
NSC_ID
PDB_CODE
Molecular Weight (g/mol)266.30
XLogP3-AA2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Complexity362
Topological Polar Surface Area (A^2)70.7
Heavy Atom Count20
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)232.5
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsYES1, TBK1, SYK, SRPK1, SRC, SGK1, RPS6KB1, RPS6KA5, RPS6KA5, RPS6KA3, Rock2
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.46121753
Predicted Log 10(IC50) values2.4663644
2D Structure


Record No:314


DB_ACCESS_NUMBERPPIM0314
CID2745748
CHEMBL_IDCHEMBL2430324
NSC_ID
PDB_CODE
Molecular Weight (g/mol)294.31
XLogP3-AA1.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Complexity386
Topological Polar Surface Area (A^2)80.9
Heavy Atom Count22
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)838.4
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsYES1, TBK1, SYK, SRPK1, SRC, SGK1, RPS6KB1, RPS6KA5, RPS6KA5, RPS6KA3, Rock2
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.30146726
Predicted Log 10(IC50) values2.8234282
2D Structure


Record No:315


DB_ACCESS_NUMBERPPIM0315
CID73355351
CHEMBL_IDCHEMBL2430325
NSC_ID
PDB_CODE
Molecular Weight (g/mol)307.35
XLogP3-AA2.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Complexity425
Topological Polar Surface Area (A^2)83.6
Heavy Atom Count23
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsCSNK1A1
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.8568828
Predicted Log 10(IC50) values2.8440703
2D Structure


Record No:316


DB_ACCESS_NUMBERPPIM0316
CID73354083
CHEMBL_IDCHEMBL2440442
NSC_ID
PDB_CODE
Molecular Weight (g/mol)426.17
XLogP3-AA4.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Complexity755
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)10700
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.99917674
Predicted Log 10(IC50) values3.9287083
2D Structure


Record No:317


DB_ACCESS_NUMBERPPIM0317
CID73349557
CHEMBL_IDCHEMBL2440443
NSC_ID
PDB_CODE
Molecular Weight (g/mol)391.73
XLogP3-AA4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Complexity721
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3475629
Predicted Log 10(IC50) values4.6908869
2D Structure


Record No:318


DB_ACCESS_NUMBERPPIM0318
CID73354084
CHEMBL_IDCHEMBL2440444
NSC_ID
PDB_CODE
Molecular Weight (g/mol)391.73
XLogP3-AA4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Complexity713
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)11900
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4896316
Predicted Log 10(IC50) values4.899262
2D Structure


Record No:319


DB_ACCESS_NUMBERPPIM0319
CID72697718
CHEMBL_IDCHEMBL2440445
NSC_ID
PDB_CODE
Molecular Weight (g/mol)391.73
XLogP3-AA4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Complexity713
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4896316
Predicted Log 10(IC50) values4.899262
2D Structure


Record No:320


DB_ACCESS_NUMBERPPIM0320
CID72697717
CHEMBL_IDCHEMBL2440446
NSC_ID
PDB_CODE
Molecular Weight (g/mol)391.73
XLogP3-AA4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Complexity713
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4896316
Predicted Log 10(IC50) values4.899262
2D Structure


Record No:321


DB_ACCESS_NUMBERPPIM0321
CID72697716
CHEMBL_IDCHEMBL2440447
NSC_ID
PDB_CODE
Molecular Weight (g/mol)375.28
XLogP3-AA3.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Complexity718
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0293788
Predicted Log 10(IC50) values4.3452927
2D Structure


Record No:322


DB_ACCESS_NUMBERPPIM0322
CID73355609
CHEMBL_IDCHEMBL2440448
NSC_ID
PDB_CODE
Molecular Weight (g/mol)357.29
XLogP3-AA3.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Complexity680
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)17500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0005248
Predicted Log 10(IC50) values4.3732389
2D Structure


Record No:323


DB_ACCESS_NUMBERPPIM0323
CID72697715
CHEMBL_IDCHEMBL2440449
NSC_ID
PDB_CODE
Molecular Weight (g/mol)368.73
XLogP3-AA2.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Complexity708
Topological Polar Surface Area (A^2)108
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)50000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0284341
Predicted Log 10(IC50) values4.7989172
2D Structure


Record No:324


DB_ACCESS_NUMBERPPIM0324
CID72697714
CHEMBL_IDCHEMBL2440450
NSC_ID
PDB_CODE
Molecular Weight (g/mol)352.28
XLogP3-AA2.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Complexity716
Topological Polar Surface Area (A^2)108
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0598461
Predicted Log 10(IC50) values4.8085927
2D Structure


Record No:325


DB_ACCESS_NUMBERPPIM0325
CID73349627
CHEMBL_IDCHEMBL2443382
NSC_ID
PDB_CODE
Molecular Weight (g/mol)402.63
XLogP3-AA3.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Complexity627
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count24
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)49500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score2.0490536
Predicted Log 10(IC50) values4.5944894
2D Structure


Record No:326


DB_ACCESS_NUMBERPPIM0326
CID72697859
CHEMBL_IDCHEMBL2443383
NSC_ID
PDB_CODE
Molecular Weight (g/mol)368.19
XLogP3-AA3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Complexity595
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count23
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score2.0740007
Predicted Log 10(IC50) values4.737999
2D Structure


Record No:327


DB_ACCESS_NUMBERPPIM0327
CID73355682
CHEMBL_IDCHEMBL2443384
NSC_ID
PDB_CODE
Molecular Weight (g/mol)337.76
XLogP3-AA3.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Complexity622
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count24
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.99966523
Predicted Log 10(IC50) values5.097228
2D Structure


Record No:328


DB_ACCESS_NUMBERPPIM0328
CID73351169
CHEMBL_IDCHEMBL2443385
NSC_ID
PDB_CODE
Molecular Weight (g/mol)341.72
XLogP3-AA3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Complexity635
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count24
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.9709914
Predicted Log 10(IC50) values4.8991732
2D Structure


Record No:329


DB_ACCESS_NUMBERPPIM0329
CID72697858
CHEMBL_IDCHEMBL2443386
NSC_ID
PDB_CODE
Molecular Weight (g/mol)358.17
XLogP3-AA3.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Complexity633
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count24
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4948789
Predicted Log 10(IC50) values5.0181027
2D Structure


Record No:330


DB_ACCESS_NUMBERPPIM0330
CID73355683
CHEMBL_IDCHEMBL2443387
NSC_ID
PDB_CODE
Molecular Weight (g/mol)358.17
XLogP3-AA3.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Complexity625
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count24
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)15000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5885772
Predicted Log 10(IC50) values5.0735515
2D Structure


Record No:331


DB_ACCESS_NUMBERPPIM0331
CID72697857
CHEMBL_IDCHEMBL2443388
NSC_ID
PDB_CODE
Molecular Weight (g/mol)341.72
XLogP3-AA3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Complexity635
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count24
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.9709914
Predicted Log 10(IC50) values4.8991732
2D Structure


Record No:332


DB_ACCESS_NUMBERPPIM0332
CID72697719
CHEMBL_IDCHEMBL2443389
NSC_ID
PDB_CODE
Molecular Weight (g/mol)371.31
XLogP3-AA3.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Complexity695
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2132843
Predicted Log 10(IC50) values4.6176781
2D Structure


Record No:333


DB_ACCESS_NUMBERPPIM0333
CID73357201
CHEMBL_IDCHEMBL2443390
NSC_ID
PDB_CODE
Molecular Weight (g/mol)371.31
XLogP3-AA3.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Complexity708
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)32000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1011033
Predicted Log 10(IC50) values4.4043096
2D Structure


Record No:334


DB_ACCESS_NUMBERPPIM0334
CID73357202
CHEMBL_IDCHEMBL2443391
NSC_ID
PDB_CODE
Molecular Weight (g/mol)371.31
XLogP3-AA3.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Complexity716
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)8400
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.94772338
Predicted Log 10(IC50) values4.2618915
2D Structure


Record No:335


DB_ACCESS_NUMBERPPIM0335
CID73349628
CHEMBL_IDCHEMBL2443392
NSC_ID
PDB_CODE
Molecular Weight (g/mol)375.28
XLogP3-AA3.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Complexity718
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)12300
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0293788
Predicted Log 10(IC50) values4.3452927
2D Structure


Record No:336


DB_ACCESS_NUMBERPPIM0336
CID44406706
CHEMBL_IDCHEMBL264068
NSC_ID
PDB_CODE
Molecular Weight (g/mol)230.30
XLogP3-AA3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Complexity225
Topological Polar Surface Area (A^2)63.6
Heavy Atom Count16
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.50942064
Predicted Log 10(IC50) values5.1637872
2D Structure


Record No:337


DB_ACCESS_NUMBERPPIM0337
CID72696510
CHEMBL_IDCHEMBL3093509
NSC_ID
PDB_CODE
Molecular Weight (g/mol)460.39
XLogP3-AA5.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity658
Topological Polar Surface Area (A^2)45.1
Heavy Atom Count31
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsMdm4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1479362
Predicted Log 10(IC50) values3.7935421
2D Structure


Record No:338


DB_ACCESS_NUMBERPPIM0338
CID72696511
CHEMBL_IDCHEMBL3093510
NSC_ID
PDB_CODE
Molecular Weight (g/mol)524.44
XLogP3-AA6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity761
Topological Polar Surface Area (A^2)54.4
Heavy Atom Count36
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)8000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsMdm4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0676
Predicted Log 10(IC50) values4.3557067
2D Structure


Record No:339


DB_ACCESS_NUMBERPPIM0339
CID72698216
CHEMBL_IDCHEMBL3093514
NSC_ID
PDB_CODE
Molecular Weight (g/mol)397.29
XLogP3-AA6.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity528
Topological Polar Surface Area (A^2)24.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1900
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsMdm4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5208706
Predicted Log 10(IC50) values3.3777862
2D Structure


Record No:340


DB_ACCESS_NUMBERPPIM0340
CID72698217
CHEMBL_IDCHEMBL3093515
NSC_ID
PDB_CODE
Molecular Weight (g/mol)397.29
XLogP3-AA6.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity528
Topological Polar Surface Area (A^2)24.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1600
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsMdm4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5208706
Predicted Log 10(IC50) values3.3777862
2D Structure


Record No:341


DB_ACCESS_NUMBERPPIM0341
CID72696137
CHEMBL_IDCHEMBL3093521
NSC_ID
PDB_CODE
Molecular Weight (g/mol)362.90
XLogP3-AA6.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Complexity515
Topological Polar Surface Area (A^2)15.6
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)12700
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsMdm4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.50666805
Predicted Log 10(IC50) values4.0029513
2D Structure


Record No:342


DB_ACCESS_NUMBERPPIM0342
CID72696260
CHEMBL_IDCHEMBL3093523
NSC_ID
PDB_CODE
Molecular Weight (g/mol)347.28
XLogP3-AA6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Complexity427
Topological Polar Surface Area (A^2)15.6
Heavy Atom Count23
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)17300
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsPRKCZ, MDM4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.38492561
Predicted Log 10(IC50) values4.3380185
2D Structure


Record No:343


DB_ACCESS_NUMBERPPIM0343
CID72696261
CHEMBL_IDCHEMBL3093524
NSC_ID
PDB_CODE
Molecular Weight (g/mol)381.72
XLogP3-AA6.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Complexity466
Topological Polar Surface Area (A^2)15.6
Heavy Atom Count24
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)5300
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsMdm4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.22483011
Predicted Log 10(IC50) values3.7936497
2D Structure


Record No:344


DB_ACCESS_NUMBERPPIM0344
CID72696263
CHEMBL_IDCHEMBL3093526
NSC_ID
PDB_CODE
Molecular Weight (g/mol)391.73
XLogP3-AA6.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Complexity429
Topological Polar Surface Area (A^2)15.6
Heavy Atom Count23
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)4300
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsMdm4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.523182
Predicted Log 10(IC50) values3.7325879
2D Structure


Record No:345


DB_ACCESS_NUMBERPPIM0345
CID72697919
CHEMBL_IDCHEMBL3093533
NSC_ID
PDB_CODE
Molecular Weight (g/mol)397.29
XLogP3-AA6.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity520
Topological Polar Surface Area (A^2)24.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsMdm4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4424839
Predicted Log 10(IC50) values3.3940641
2D Structure


Record No:346


DB_ACCESS_NUMBERPPIM0346
CID72698073
CHEMBL_IDCHEMBL3093544
NSC_ID
PDB_CODE
Molecular Weight (g/mol)397.29
XLogP3-AA6.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity520
Topological Polar Surface Area (A^2)24.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)18500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsMdm4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4424839
Predicted Log 10(IC50) values3.3940641
2D Structure


Record No:347


DB_ACCESS_NUMBERPPIM0347
CID72698074
CHEMBL_IDCHEMBL3093545
NSC_ID
PDB_CODE
Molecular Weight (g/mol)397.29
XLogP3-AA6.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity528
Topological Polar Surface Area (A^2)24.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsMdm4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5208706
Predicted Log 10(IC50) values3.3777862
2D Structure


Record No:348


DB_ACCESS_NUMBERPPIM0348
CID58573665
CHEMBL_IDCHEMBL3125513
NSC_ID
PDB_CODE
Molecular Weight (g/mol)583.56
XLogP3-AA5.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity942
Topological Polar Surface Area (A^2)112
Heavy Atom Count38
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1.3
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2990115
Predicted Log 10(IC50) values-0.62261075
2D Structure


Record No:349


DB_ACCESS_NUMBERPPIM0349
CID58573255
CHEMBL_IDCHEMBL3125514
NSC_ID
PDB_CODE
Molecular Weight (g/mol)567.52
XLogP3-AA4.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity932
Topological Polar Surface Area (A^2)112
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.5
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0231775
Predicted Log 10(IC50) values-0.40103216
2D Structure


Record No:350


DB_ACCESS_NUMBERPPIM0350
CID58573852
CHEMBL_IDCHEMBL3125515
NSC_ID
PDB_CODE
Molecular Weight (g/mol)597.59
XLogP3-AA5.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity973
Topological Polar Surface Area (A^2)103
Heavy Atom Count39
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.7
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5200355
Predicted Log 10(IC50) values-0.097310099
2D Structure


Record No:351


DB_ACCESS_NUMBERPPIM0351
CID67999393
CHEMBL_IDCHEMBL3125516
NSC_ID
PDB_CODE
Molecular Weight (g/mol)581.54
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity963
Topological Polar Surface Area (A^2)103
Heavy Atom Count38
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.9
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3794253
Predicted Log 10(IC50) values0.16815407
2D Structure


Record No:352


DB_ACCESS_NUMBERPPIM0352
CID58573621
CHEMBL_IDCHEMBL3125517
NSC_ID
PDB_CODE
Molecular Weight (g/mol)593.56
XLogP3-AA4.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity1020
Topological Polar Surface Area (A^2)103
Heavy Atom Count39
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.215287
Predicted Log 10(IC50) values1.1927988
2D Structure


Record No:353


DB_ACCESS_NUMBERPPIM0353
CID67999477
CHEMBL_IDCHEMBL3125518
NSC_ID
PDB_CODE
Molecular Weight (g/mol)595.57
XLogP3-AA5.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity992
Topological Polar Surface Area (A^2)103
Heavy Atom Count39
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3328281
Predicted Log 10(IC50) values0.41735758
2D Structure


Record No:354


DB_ACCESS_NUMBERPPIM0354
CID67998930
CHEMBL_IDCHEMBL3125519
NSC_ID
PDB_CODE
Molecular Weight (g/mol)567.52
XLogP3-AA4.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity945
Topological Polar Surface Area (A^2)103
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2580634
Predicted Log 10(IC50) values0.34835974
2D Structure


Record No:355


DB_ACCESS_NUMBERPPIM0355
CID68000692
CHEMBL_IDCHEMBL3125520
NSC_ID
PDB_CODE
Molecular Weight (g/mol)579.53
XLogP3-AA4.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity990
Topological Polar Surface Area (A^2)103
Heavy Atom Count38
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2566535
Predicted Log 10(IC50) values1.2412917
2D Structure


Record No:356


DB_ACCESS_NUMBERPPIM0356
CID67999919
CHEMBL_IDCHEMBL3125521
NSC_ID
PDB_CODE
Molecular Weight (g/mol)593.56
XLogP3-AA4.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity1000
Topological Polar Surface Area (A^2)103
Heavy Atom Count39
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3707138
Predicted Log 10(IC50) values0.8177549
2D Structure


Record No:357


DB_ACCESS_NUMBERPPIM0357
CID58573595
CHEMBL_IDCHEMBL3125522
NSC_ID
PDB_CODE
Molecular Weight (g/mol)526.46
XLogP3-AA4.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Complexity839
Topological Polar Surface Area (A^2)100
Heavy Atom Count34
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.3
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.9168574
Predicted Log 10(IC50) values1.7038924
2D Structure


Record No:358


DB_ACCESS_NUMBERPPIM0358
CID76328991
CHEMBL_IDCHEMBL3125523
NSC_ID
PDB_CODE
Molecular Weight (g/mol)540.49
XLogP3-AA4.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity854
Topological Polar Surface Area (A^2)100
Heavy Atom Count35
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1.3
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.7880381
Predicted Log 10(IC50) values1.4037135
2D Structure


Record No:359


DB_ACCESS_NUMBERPPIM0359
CID58573149
CHEMBL_IDCHEMBL3125524
NSC_ID
PDB_CODE
Molecular Weight (g/mol)540.49
XLogP3-AA4.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity854
Topological Polar Surface Area (A^2)100
Heavy Atom Count35
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.3
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.7880381
Predicted Log 10(IC50) values1.4037135
2D Structure


Record No:360


DB_ACCESS_NUMBERPPIM0360
CID58573904
CHEMBL_IDCHEMBL3125525
NSC_ID
PDB_CODE
Molecular Weight (g/mol)552.50
XLogP3-AA5.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity912
Topological Polar Surface Area (A^2)100
Heavy Atom Count36
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3985964
Predicted Log 10(IC50) values0.58981048
2D Structure


Record No:361


DB_ACCESS_NUMBERPPIM0361
CID67998916
CHEMBL_IDCHEMBL3125526
NSC_ID
PDB_CODE
Molecular Weight (g/mol)554.52
XLogP3-AA5.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity883
Topological Polar Surface Area (A^2)100
Heavy Atom Count36
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.6391763
Predicted Log 10(IC50) values0.86736734
2D Structure


Record No:362


DB_ACCESS_NUMBERPPIM0362
CID68000593
CHEMBL_IDCHEMBL3125527
NSC_ID
PDB_CODE
Molecular Weight (g/mol)568.55
XLogP3-AA5.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity922
Topological Polar Surface Area (A^2)100
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4742402
Predicted Log 10(IC50) values0.18644266
2D Structure


Record No:363


DB_ACCESS_NUMBERPPIM0363
CID68000585
CHEMBL_IDCHEMBL3125528
NSC_ID
PDB_CODE
Molecular Weight (g/mol)566.53
XLogP3-AA5.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Complexity927
Topological Polar Surface Area (A^2)100
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3702308
Predicted Log 10(IC50) values0.17755217
2D Structure


Record No:364


DB_ACCESS_NUMBERPPIM0364
CID67999497
CHEMBL_IDCHEMBL3125529
NSC_ID
PDB_CODE
Molecular Weight (g/mol)566.53
XLogP3-AA5.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity927
Topological Polar Surface Area (A^2)100
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3932281
Predicted Log 10(IC50) values0.23945102
2D Structure


Record No:365


DB_ACCESS_NUMBERPPIM0365
CID68001022
CHEMBL_IDCHEMBL3125530
NSC_ID
PDB_CODE
Molecular Weight (g/mol)580.56
XLogP3-AA5.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity941
Topological Polar Surface Area (A^2)100
Heavy Atom Count38
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.3
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5443588
Predicted Log 10(IC50) values-0.017180203
2D Structure


Record No:366


DB_ACCESS_NUMBERPPIM0366
CID68000113
CHEMBL_IDCHEMBL3125531
NSC_ID
PDB_CODE
Molecular Weight (g/mol)568.50
XLogP3-AA4.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity930
Topological Polar Surface Area (A^2)109
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2322995
Predicted Log 10(IC50) values-0.23410398
2D Structure


Record No:367


DB_ACCESS_NUMBERPPIM0367
CID58573438
CHEMBL_IDCHEMBL3125532
NSC_ID
PDB_CODE
Molecular Weight (g/mol)588.54
XLogP3-AA6.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity957
Topological Polar Surface Area (A^2)100
Heavy Atom Count39
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.3
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5283651
Predicted Log 10(IC50) values0.0073483116
2D Structure


Record No:368


DB_ACCESS_NUMBERPPIM0368
CID76321813
CHEMBL_IDCHEMBL3125533
NSC_ID
PDB_CODE
Molecular Weight (g/mol)622.52
XLogP3-AA6.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Complexity1020
Topological Polar Surface Area (A^2)100
Heavy Atom Count40
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0102939
Predicted Log 10(IC50) values0.49668166
2D Structure


Record No:369


DB_ACCESS_NUMBERPPIM0369
CID76328992
CHEMBL_IDCHEMBL3125534
NSC_ID
PDB_CODE
Molecular Weight (g/mol)554.52
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Complexity906
Topological Polar Surface Area (A^2)100
Heavy Atom Count36
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5289228
Predicted Log 10(IC50) values0.6028309
2D Structure


Record No:370


DB_ACCESS_NUMBERPPIM0370
CID68000797
CHEMBL_IDCHEMBL3125535
NSC_ID
PDB_CODE
Molecular Weight (g/mol)582.57
XLogP3-AA6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity951
Topological Polar Surface Area (A^2)100
Heavy Atom Count38
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.6
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.553896
Predicted Log 10(IC50) values0.041076855
2D Structure


Record No:371


DB_ACCESS_NUMBERPPIM0371
CID76310907
CHEMBL_IDCHEMBL3125536
NSC_ID
PDB_CODE
Molecular Weight (g/mol)596.60
XLogP3-AA6.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity990
Topological Polar Surface Area (A^2)100
Heavy Atom Count39
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.5
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4507098
Predicted Log 10(IC50) values0.48187652
2D Structure


Record No:372


DB_ACCESS_NUMBERPPIM0372
CID68001087
CHEMBL_IDCHEMBL3125537
NSC_ID
PDB_CODE
Molecular Weight (g/mol)580.56
XLogP3-AA5.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity980
Topological Polar Surface Area (A^2)100
Heavy Atom Count38
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.0962
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3493695
Predicted Log 10(IC50) values0.93859363
2D Structure


Record No:373


DB_ACCESS_NUMBERPPIM0373
CID76332677
CHEMBL_IDCHEMBL3125538
NSC_ID
PDB_CODE
Molecular Weight (g/mol)594.58
XLogP3-AA5.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity996
Topological Polar Surface Area (A^2)100
Heavy Atom Count39
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3974819
Predicted Log 10(IC50) values0.73683288
2D Structure


Record No:374


DB_ACCESS_NUMBERPPIM0374
CID76336278
CHEMBL_IDCHEMBL3125539
NSC_ID
PDB_CODE
Molecular Weight (g/mol)540.49
XLogP3-AA4.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Complexity868
Topological Polar Surface Area (A^2)100
Heavy Atom Count35
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.8875989
Predicted Log 10(IC50) values1.2027622
2D Structure


Record No:375


DB_ACCESS_NUMBERPPIM0375
CID68000913
CHEMBL_IDCHEMBL3125540
NSC_ID
PDB_CODE
Molecular Weight (g/mol)582.57
XLogP3-AA6.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity951
Topological Polar Surface Area (A^2)100
Heavy Atom Count38
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.4
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5468485
Predicted Log 10(IC50) values0.036012935
2D Structure


Record No:376


DB_ACCESS_NUMBERPPIM0376
CID68000685
CHEMBL_IDCHEMBL3125697
NSC_ID
PDB_CODE
Molecular Weight (g/mol)566.53
XLogP3-AA5.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity941
Topological Polar Surface Area (A^2)100
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2890838
Predicted Log 10(IC50) values0.42858279
2D Structure


Record No:377


DB_ACCESS_NUMBERPPIM0377
CID76329003
CHEMBL_IDCHEMBL3125698
NSC_ID
PDB_CODE
Molecular Weight (g/mol)580.56
XLogP3-AA5.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity957
Topological Polar Surface Area (A^2)100
Heavy Atom Count38
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4756351
Predicted Log 10(IC50) values0.23873388
2D Structure


Record No:378


DB_ACCESS_NUMBERPPIM0378
CID76329004
CHEMBL_IDCHEMBL3125699
NSC_ID
PDB_CODE
Molecular Weight (g/mol)512.44
XLogP3-AA4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity823
Topological Polar Surface Area (A^2)100
Heavy Atom Count33
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.9
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.9191615
Predicted Log 10(IC50) values2.1061383
2D Structure


Record No:379


DB_ACCESS_NUMBERPPIM0379
CID68000111
CHEMBL_IDCHEMBL3125700
NSC_ID
PDB_CODE
Molecular Weight (g/mol)540.49
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Complexity868
Topological Polar Surface Area (A^2)100
Heavy Atom Count35
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.3
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.8769108
Predicted Log 10(IC50) values1.2017674
2D Structure


Record No:380


DB_ACCESS_NUMBERPPIM0380
CID58573858
CHEMBL_IDCHEMBL3125701
NSC_ID
PDB_CODE
Molecular Weight (g/mol)538.48
XLogP3-AA4.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Complexity896
Topological Polar Surface Area (A^2)100
Heavy Atom Count35
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.6453952
Predicted Log 10(IC50) values1.0714682
2D Structure


Record No:381


DB_ACCESS_NUMBERPPIM0381
CID58573469
CHEMBL_IDCHEMBL3125702
NSC_ID
PDB_CODE
Molecular Weight (g/mol)568.55
XLogP3-AA5.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity912
Topological Polar Surface Area (A^2)100
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.6
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(DRUG in clinical trial and Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Can
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5015783
Predicted Log 10(IC50) values0.27252116
2D Structure


Record No:382


DB_ACCESS_NUMBERPPIM0382
CID58573173
CHEMBL_IDCHEMBL3125703
NSC_ID
PDB_CODE
Molecular Weight (g/mol)492.43
XLogP3-AA5.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity708
Topological Polar Surface Area (A^2)77.8
Heavy Atom Count33
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1.4
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.71917847
Predicted Log 10(IC50) values2.4921399
2D Structure


Record No:383


DB_ACCESS_NUMBERPPIM0383
CID68000346
CHEMBL_IDCHEMBL3125704
NSC_ID
PDB_CODE
Molecular Weight (g/mol)506.46
XLogP3-AA5.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity723
Topological Polar Surface Area (A^2)77.8
Heavy Atom Count34
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.67260754
Predicted Log 10(IC50) values2.7638789
2D Structure


Record No:384


DB_ACCESS_NUMBERPPIM0384
CID67999750
CHEMBL_IDCHEMBL3125705
NSC_ID
PDB_CODE
Molecular Weight (g/mol)520.49
XLogP3-AA5.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Complexity739
Topological Polar Surface Area (A^2)77.8
Heavy Atom Count35
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1.4
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.73634184
Predicted Log 10(IC50) values3.3618349
2D Structure


Record No:385


DB_ACCESS_NUMBERPPIM0385
CID76321823
CHEMBL_IDCHEMBL3125706
NSC_ID
PDB_CODE
Molecular Weight (g/mol)492.43
XLogP3-AA5.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity683
Topological Polar Surface Area (A^2)77.8
Heavy Atom Count33
Defined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.4
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.33987115
Predicted Log 10(IC50) values1.2513033
2D Structure


Record No:386


DB_ACCESS_NUMBERPPIM0386
CID76318138
CHEMBL_IDCHEMBL3125707
NSC_ID
PDB_CODE
Molecular Weight (g/mol)492.43
XLogP3-AA5.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity683
Topological Polar Surface Area (A^2)77.8
Heavy Atom Count33
Defined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.7
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.33987115
Predicted Log 10(IC50) values1.2513033
2D Structure


Record No:387


DB_ACCESS_NUMBERPPIM0387
CID76325459
CHEMBL_IDCHEMBL3125708
NSC_ID
PDB_CODE
Molecular Weight (g/mol)473.39
XLogP3-AA4.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity730
Topological Polar Surface Area (A^2)81.4
Heavy Atom Count32
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1.2
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.246432
Predicted Log 10(IC50) values3.8147274
2D Structure


Record No:388


DB_ACCESS_NUMBERPPIM0388
CID58573737
CHEMBL_IDCHEMBL3125709
NSC_ID
PDB_CODE
Molecular Weight (g/mol)515.47
XLogP3-AA6.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity816
Topological Polar Surface Area (A^2)81.4
Heavy Atom Count35
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1.2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3375707
Predicted Log 10(IC50) values3.1248478
2D Structure


Record No:389


DB_ACCESS_NUMBERPPIM0389
CID67998895
CHEMBL_IDCHEMBL3125710
NSC_ID
PDB_CODE
Molecular Weight (g/mol)541.48
XLogP3-AA4.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity858
Topological Polar Surface Area (A^2)112
Heavy Atom Count35
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.7
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3567896
Predicted Log 10(IC50) values0.54595613
2D Structure


Record No:390


DB_ACCESS_NUMBERPPIM0390
CID23642310
CHEMBL_IDCHEMBL3233018
NSC_ID
PDB_CODE
Molecular Weight (g/mol)720.71
XLogP3-AA6.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Complexity1160
Topological Polar Surface Area (A^2)84.4
Heavy Atom Count51
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)40
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-7.0355289
Predicted Log 10(IC50) values2.757631
2D Structure


Record No:391


DB_ACCESS_NUMBERPPIM0391
CID73386678
CHEMBL_IDCHEMBL3233049
NSC_ID
PDB_CODE
Molecular Weight (g/mol)659.61
XLogP3-AA5.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Complexity1150
Topological Polar Surface Area (A^2)122
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.7270534
Predicted Log 10(IC50) values-0.72726056
2D Structure


Record No:392


DB_ACCESS_NUMBERPPIM0392
CID89490679
CHEMBL_IDCHEMBL3233121
NSC_ID
PDB_CODE
Molecular Weight (g/mol)569.49
XLogP3-AA4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Complexity919
Topological Polar Surface Area (A^2)113
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1.1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1403617
Predicted Log 10(IC50) values-0.40533442
2D Structure


Record No:393


DB_ACCESS_NUMBERPPIM0393
CID89478355
CHEMBL_IDCHEMBL3233122
NSC_ID
PDB_CODE
Molecular Weight (g/mol)631.56
XLogP3-AA5.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Complexity1040
Topological Polar Surface Area (A^2)113
Heavy Atom Count42
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.8
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.16583273
Predicted Log 10(IC50) values-0.17037164
2D Structure


Record No:394


DB_ACCESS_NUMBERPPIM0394
CID90342080
CHEMBL_IDCHEMBL3233123
NSC_ID
PDB_CODE
Molecular Weight (g/mol)649.55
XLogP3-AA5.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Complexity1080
Topological Polar Surface Area (A^2)113
Heavy Atom Count43
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.3
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-1.8259243
Predicted Log 10(IC50) values-0.050216318
2D Structure


Record No:395


DB_ACCESS_NUMBERPPIM0395
CID90342208
CHEMBL_IDCHEMBL3233124
NSC_ID
PDB_CODE
Molecular Weight (g/mol)649.55
XLogP3-AA5.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Complexity1070
Topological Polar Surface Area (A^2)113
Heavy Atom Count43
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.6
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-1.4011369
Predicted Log 10(IC50) values-0.084599632
2D Structure


Record No:396


DB_ACCESS_NUMBERPPIM0396
CID89490890
CHEMBL_IDCHEMBL3233125
NSC_ID
PDB_CODE
Molecular Weight (g/mol)667.54
XLogP3-AA5.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Complexity1120
Topological Polar Surface Area (A^2)113
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.5
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.7683677
Predicted Log 10(IC50) values0.15829908
2D Structure


Record No:397


DB_ACCESS_NUMBERPPIM0397
CID90347748
CHEMBL_IDCHEMBL3233126
NSC_ID
PDB_CODE
Molecular Weight (g/mol)651.57
XLogP3-AA5.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Complexity1050
Topological Polar Surface Area (A^2)113
Heavy Atom Count43
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.3
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.65617034
Predicted Log 10(IC50) values-0.086783133
2D Structure


Record No:398


DB_ACCESS_NUMBERPPIM0398
CID90347747
CHEMBL_IDCHEMBL3233127
NSC_ID
PDB_CODE
Molecular Weight (g/mol)623.51
XLogP3-AA5.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Complexity1010
Topological Polar Surface Area (A^2)113
Heavy Atom Count41
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.4
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.82830845
Predicted Log 10(IC50) values-0.12745886
2D Structure


Record No:399


DB_ACCESS_NUMBERPPIM0399
CID89478524
CHEMBL_IDCHEMBL3233128
NSC_ID
PDB_CODE
Molecular Weight (g/mol)528.44
XLogP3-AA3.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity811
Topological Polar Surface Area (A^2)109
Heavy Atom Count34
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2397616
Predicted Log 10(IC50) values2.047344
2D Structure


Record No:400


DB_ACCESS_NUMBERPPIM0400
CID89478498
CHEMBL_IDCHEMBL3233129
NSC_ID
PDB_CODE
Molecular Weight (g/mol)542.46
XLogP3-AA4.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity839
Topological Polar Surface Area (A^2)109
Heavy Atom Count35
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1.3
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2527549
Predicted Log 10(IC50) values1.2632865
2D Structure


Record No:401


DB_ACCESS_NUMBERPPIM0401
CID73386674
CHEMBL_IDCHEMBL3233130
NSC_ID
PDB_CODE
Molecular Weight (g/mol)556.49
XLogP3-AA4.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity878
Topological Polar Surface Area (A^2)109
Heavy Atom Count36
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.5
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.33168
Predicted Log 10(IC50) values0.49273075
2D Structure


Record No:402


DB_ACCESS_NUMBERPPIM0402
CID89490809
CHEMBL_IDCHEMBL3233131
NSC_ID
PDB_CODE
Molecular Weight (g/mol)570.52
XLogP3-AA5.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity894
Topological Polar Surface Area (A^2)109
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2494966
Predicted Log 10(IC50) values0.23001191
2D Structure


Record No:403


DB_ACCESS_NUMBERPPIM0403
CID89490787
CHEMBL_IDCHEMBL3233132
NSC_ID
PDB_CODE
Molecular Weight (g/mol)568.50
XLogP3-AA4.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity897
Topological Polar Surface Area (A^2)109
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)5
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2840925
Predicted Log 10(IC50) values0.17411953
2D Structure


Record No:404


DB_ACCESS_NUMBERPPIM0404
CID89478729
CHEMBL_IDCHEMBL3233133
NSC_ID
PDB_CODE
Molecular Weight (g/mol)576.48
XLogP3-AA5.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity913
Topological Polar Surface Area (A^2)109
Heavy Atom Count38
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.9
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.296917
Predicted Log 10(IC50) values-0.13645057
2D Structure


Record No:405


DB_ACCESS_NUMBERPPIM0405
CID86730799
CHEMBL_IDCHEMBL3233134
NSC_ID
PDB_CODE
Molecular Weight (g/mol)543.45
XLogP3-AA3.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Complexity843
Topological Polar Surface Area (A^2)113
Heavy Atom Count35
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.9
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1383295
Predicted Log 10(IC50) values0.94351888
2D Structure


Record No:406


DB_ACCESS_NUMBERPPIM0406
CID89490693
CHEMBL_IDCHEMBL3233135
NSC_ID
PDB_CODE
Molecular Weight (g/mol)556.45
XLogP3-AA3.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Complexity885
Topological Polar Surface Area (A^2)119
Heavy Atom Count36
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)5
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.85436568
Predicted Log 10(IC50) values-0.07597451
2D Structure


Record No:407


DB_ACCESS_NUMBERPPIM0407
CID86730805
CHEMBL_IDCHEMBL3233136
NSC_ID
PDB_CODE
Molecular Weight (g/mol)542.46
XLogP3-AA4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Complexity862
Topological Polar Surface Area (A^2)109
Heavy Atom Count35
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1.1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5391816
Predicted Log 10(IC50) values0.73638971
2D Structure


Record No:408


DB_ACCESS_NUMBERPPIM0408
CID89478490
CHEMBL_IDCHEMBL3233137
NSC_ID
PDB_CODE
Molecular Weight (g/mol)610.46
XLogP3-AA5.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Complexity976
Topological Polar Surface Area (A^2)109
Heavy Atom Count39
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.4
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.6162254
Predicted Log 10(IC50) values-0.23460803
2D Structure


Record No:409


DB_ACCESS_NUMBERPPIM0409
CID89480425
CHEMBL_IDCHEMBL3233138
NSC_ID
PDB_CODE
Molecular Weight (g/mol)570.52
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity907
Topological Polar Surface Area (A^2)109
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.329762
Predicted Log 10(IC50) values-0.060357728
2D Structure


Record No:410


DB_ACCESS_NUMBERPPIM0410
CID90342165
CHEMBL_IDCHEMBL3233139
NSC_ID
PDB_CODE
Molecular Weight (g/mol)584.54
XLogP3-AA5.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity946
Topological Polar Surface Area (A^2)109
Heavy Atom Count38
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.5
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2, CYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4506572
Predicted Log 10(IC50) values-0.45683314
2D Structure


Record No:411


DB_ACCESS_NUMBERPPIM0411
CID71544420
CHEMBL_IDCHEMBL3233140
NSC_ID
PDB_CODE
Molecular Weight (g/mol)568.50
XLogP3-AA4.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity936
Topological Polar Surface Area (A^2)109
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.4
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNR1I2
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1809327
Predicted Log 10(IC50) values-0.1867289
2D Structure


Record No:412


DB_ACCESS_NUMBERPPIM0412
CID89480496
CHEMBL_IDCHEMBL3233141
NSC_ID
PDB_CODE
Molecular Weight (g/mol)570.52
XLogP3-AA4.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity924
Topological Polar Surface Area (A^2)109
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.5
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3087072
Predicted Log 10(IC50) values-0.28515805
2D Structure


Record No:413


DB_ACCESS_NUMBERPPIM0413
CID90654509
CHEMBL_IDCHEMBL3233587
NSC_ID
PDB_CODE
Molecular Weight (g/mol)636.59
XLogP3-AA5.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Complexity1020
Topological Polar Surface Area (A^2)75.2
Heavy Atom Count45
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)600
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.21726904
Predicted Log 10(IC50) values2.6778298
2D Structure


Record No:414


DB_ACCESS_NUMBERPPIM0414
CID90654510
CHEMBL_IDCHEMBL3233588
NSC_ID
PDB_CODE
Molecular Weight (g/mol)680.64
XLogP3-AA5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Complexity1070
Topological Polar Surface Area (A^2)84.4
Heavy Atom Count48
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)169
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-3.1762826
Predicted Log 10(IC50) values2.999222
2D Structure


Record No:415


DB_ACCESS_NUMBERPPIM0415
CID90654511
CHEMBL_IDCHEMBL3233589
NSC_ID
PDB_CODE
Molecular Weight (g/mol)694.67
XLogP3-AA5.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Complexity1100
Topological Polar Surface Area (A^2)84.4
Heavy Atom Count49
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)4000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-5.4770674
Predicted Log 10(IC50) values3.3314134
2D Structure


Record No:416


DB_ACCESS_NUMBERPPIM0416
CID59648036
CHEMBL_IDCHEMBL3233590
NSC_ID
PDB_CODE
Molecular Weight (g/mol)694.67
XLogP3-AA5.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Complexity1100
Topological Polar Surface Area (A^2)84.4
Heavy Atom Count49
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2700
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-5.4770674
Predicted Log 10(IC50) values3.3314134
2D Structure


Record No:417


DB_ACCESS_NUMBERPPIM0417
CID77461139
CHEMBL_IDCHEMBL3233591
NSC_ID
PDB_CODE
Molecular Weight (g/mol)708.70
XLogP3-AA5.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Complexity1140
Topological Polar Surface Area (A^2)84.4
Heavy Atom Count50
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-7.0702968
Predicted Log 10(IC50) values3.028363
2D Structure


Record No:418


DB_ACCESS_NUMBERPPIM0418
CID90654512
CHEMBL_IDCHEMBL3233592
NSC_ID
PDB_CODE
Molecular Weight (g/mol)712.69
XLogP3-AA6.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Complexity1170
Topological Polar Surface Area (A^2)75.2
Heavy Atom Count51
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-6.7599321
Predicted Log 10(IC50) values3.3764273
2D Structure


Record No:419


DB_ACCESS_NUMBERPPIM0419
CID90654513
CHEMBL_IDCHEMBL3233593
NSC_ID
PDB_CODE
Molecular Weight (g/mol)774.73
XLogP3-AA6.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Complexity1250
Topological Polar Surface Area (A^2)84.4
Heavy Atom Count55
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3900
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.2031261
Predicted Log 10(IC50) values3.6903561
2D Structure


Record No:420


DB_ACCESS_NUMBERPPIM0420
CID90654514
CHEMBL_IDCHEMBL3233594
NSC_ID
PDB_CODE
Molecular Weight (g/mol)756.74
XLogP3-AA6.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Complexity1220
Topological Polar Surface Area (A^2)84.4
Heavy Atom Count54
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)10000
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-5.2789105
Predicted Log 10(IC50) values3.6255148
2D Structure


Record No:421


DB_ACCESS_NUMBERPPIM0421
CID90654515
CHEMBL_IDCHEMBL3233595
NSC_ID
PDB_CODE
Molecular Weight (g/mol)648.60
XLogP3-AA5.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Complexity1090
Topological Polar Surface Area (A^2)75.2
Heavy Atom Count46
Defined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)5600
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-3.7541553
Predicted Log 10(IC50) values3.6482501
2D Structure


Record No:422


DB_ACCESS_NUMBERPPIM0422
CID73386677
CHEMBL_IDCHEMBL3236356
NSC_ID
PDB_CODE
Molecular Weight (g/mol)657.64
XLogP3-AA6.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity1140
Topological Polar Surface Area (A^2)113
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.7419664
Predicted Log 10(IC50) values-0.21085599
2D Structure


Record No:423


DB_ACCESS_NUMBERPPIM0423
CID73386675
CHEMBL_IDCHEMBL3236357
NSC_ID
PDB_CODE
Molecular Weight (g/mol)695.68
XLogP3-AA6.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Complexity1190
Topological Polar Surface Area (A^2)141
Heavy Atom Count45
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsMdm4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.8671371
Predicted Log 10(IC50) values-0.89999822
2D Structure


Record No:424


DB_ACCESS_NUMBERPPIM0424
CID90655374
CHEMBL_IDCHEMBL3236358
NSC_ID
PDB_CODE
Molecular Weight (g/mol)592.58
XLogP3-AA5.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity950
Topological Polar Surface Area (A^2)117
Heavy Atom Count39
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1803561
Predicted Log 10(IC50) values-0.72794267
2D Structure


Record No:425


DB_ACCESS_NUMBERPPIM0425
CID90655375
CHEMBL_IDCHEMBL3236359
NSC_ID
PDB_CODE
Molecular Weight (g/mol)608.57
XLogP3-AA5.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity1080
Topological Polar Surface Area (A^2)114
Heavy Atom Count40
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.87547867
Predicted Log 10(IC50) values0.76961424
2D Structure


Record No:426


DB_ACCESS_NUMBERPPIM0426
CID90655376
CHEMBL_IDCHEMBL3236360
NSC_ID
PDB_CODE
Molecular Weight (g/mol)699.62
XLogP3-AA6.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Complexity1260
Topological Polar Surface Area (A^2)134
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-3.5088148
Predicted Log 10(IC50) values-0.57897857
2D Structure


Record No:427


DB_ACCESS_NUMBERPPIM0427
CID90655377
CHEMBL_IDCHEMBL3236361
NSC_ID
PDB_CODE
Molecular Weight (g/mol)608.57
XLogP3-AA5.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity1070
Topological Polar Surface Area (A^2)117
Heavy Atom Count40
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.97648258
Predicted Log 10(IC50) values0.57878553
2D Structure


Record No:428


DB_ACCESS_NUMBERPPIM0428
CID90655378
CHEMBL_IDCHEMBL3236362
NSC_ID
PDB_CODE
Molecular Weight (g/mol)582.57
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Complexity938
Topological Polar Surface Area (A^2)100
Heavy Atom Count38
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.6
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5865142
Predicted Log 10(IC50) values-0.12103144
2D Structure


Record No:429


DB_ACCESS_NUMBERPPIM0429
CID90655379
CHEMBL_IDCHEMBL3236363
NSC_ID
PDB_CODE
Molecular Weight (g/mol)567.56
XLogP3-AA4.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Complexity923
Topological Polar Surface Area (A^2)106
Heavy Atom Count37
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.5
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3267639
Predicted Log 10(IC50) values-0.17854704
2D Structure


Record No:430


DB_ACCESS_NUMBERPPIM0430
CID90354304
CHEMBL_IDCHEMBL3236364
NSC_ID
PDB_CODE
Molecular Weight (g/mol)579.57
XLogP3-AA4.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Complexity982
Topological Polar Surface Area (A^2)106
Heavy Atom Count38
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.207155
Predicted Log 10(IC50) values0.67100516
2D Structure


Record No:431


DB_ACCESS_NUMBERPPIM0431
CID90655380
CHEMBL_IDCHEMBL3236365
NSC_ID
PDB_CODE
Molecular Weight (g/mol)615.62
XLogP3-AA4.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity1100
Topological Polar Surface Area (A^2)131
Heavy Atom Count39
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.47120279
Predicted Log 10(IC50) values0.14078597
2D Structure


Record No:432


DB_ACCESS_NUMBERPPIM0432
CID90655381
CHEMBL_IDCHEMBL3236635
NSC_ID
PDB_CODE
Molecular Weight (g/mol)677.67
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity1220
Topological Polar Surface Area (A^2)120
Heavy Atom Count45
Defined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-5.0032567
Predicted Log 10(IC50) values-0.90015395
2D Structure


Record No:433


DB_ACCESS_NUMBERPPIM0433
CID90655382
CHEMBL_IDCHEMBL3236636
NSC_ID
PDB_CODE
Molecular Weight (g/mol)677.67
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity1220
Topological Polar Surface Area (A^2)120
Heavy Atom Count45
Defined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-5.0032567
Predicted Log 10(IC50) values-0.90015395
2D Structure


Record No:434


DB_ACCESS_NUMBERPPIM0434
CID90655383
CHEMBL_IDCHEMBL3236637
NSC_ID
PDB_CODE
Molecular Weight (g/mol)613.63
XLogP3-AA6.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Complexity1010
Topological Polar Surface Area (A^2)75.7
Heavy Atom Count41
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.3
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.28909697
Predicted Log 10(IC50) values1.8353566
2D Structure


Record No:435


DB_ACCESS_NUMBERPPIM0435
CID90655384
CHEMBL_IDCHEMBL3236638
NSC_ID
PDB_CODE
Molecular Weight (g/mol)612.65
XLogP3-AA7.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Complexity1000
Topological Polar Surface Area (A^2)62.8
Heavy Atom Count41
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)7.6
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.31104005
Predicted Log 10(IC50) values2.5703237
2D Structure


Record No:436


DB_ACCESS_NUMBERPPIM0436
CID90655372
CHEMBL_IDCHEMBL3236639
NSC_ID
PDB_CODE
Molecular Weight (g/mol)657.64
XLogP3-AA6.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity1140
Topological Polar Surface Area (A^2)113
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.7419664
Predicted Log 10(IC50) values-0.21085599
2D Structure


Record No:437


DB_ACCESS_NUMBERPPIM0437
CID90655373
CHEMBL_IDCHEMBL3236640
NSC_ID
PDB_CODE
Molecular Weight (g/mol)677.69
XLogP3-AA6.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Complexity1150
Topological Polar Surface Area (A^2)141
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.6218763
Predicted Log 10(IC50) values-0.90046859
2D Structure


Record No:438


DB_ACCESS_NUMBERPPIM0438
CID90655386
CHEMBL_IDCHEMBL3236641
NSC_ID
PDB_CODE
Molecular Weight (g/mol)657.64
XLogP3-AA6.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity1140
Topological Polar Surface Area (A^2)113
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1.2
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.7567607
Predicted Log 10(IC50) values-0.21045279
2D Structure


Record No:439


DB_ACCESS_NUMBERPPIM0439
CID90655387
CHEMBL_IDCHEMBL3236642
NSC_ID
PDB_CODE
Molecular Weight (g/mol)675.63
XLogP3-AA6.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Complexity1190
Topological Polar Surface Area (A^2)113
Heavy Atom Count45
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-5.8112195
Predicted Log 10(IC50) values-0.65000188
2D Structure


Record No:440


DB_ACCESS_NUMBERPPIM0440
CID90655388
CHEMBL_IDCHEMBL3236643
NSC_ID
PDB_CODE
Molecular Weight (g/mol)671.67
XLogP3-AA6.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Complexity1160
Topological Polar Surface Area (A^2)113
Heavy Atom Count45
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-5.835355
Predicted Log 10(IC50) values-0.36184427
2D Structure


Record No:441


DB_ACCESS_NUMBERPPIM0441
CID90655389
CHEMBL_IDCHEMBL3236644
NSC_ID
PDB_CODE
Molecular Weight (g/mol)699.72
XLogP3-AA7.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Complexity1240
Topological Polar Surface Area (A^2)113
Heavy Atom Count47
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.5928585
Predicted Log 10(IC50) values-0.28698686
2D Structure


Record No:442


DB_ACCESS_NUMBERPPIM0442
CID90655390
CHEMBL_IDCHEMBL3236645
NSC_ID
PDB_CODE
Molecular Weight (g/mol)671.67
XLogP3-AA6.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity1180
Topological Polar Surface Area (A^2)113
Heavy Atom Count45
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.4
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-5.8171215
Predicted Log 10(IC50) values-0.62382871
2D Structure


Record No:443


DB_ACCESS_NUMBERPPIM0443
CID90655391
CHEMBL_IDCHEMBL3236646
NSC_ID
PDB_CODE
Molecular Weight (g/mol)671.67
XLogP3-AA6.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity1180
Topological Polar Surface Area (A^2)113
Heavy Atom Count45
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.3
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-5.8171215
Predicted Log 10(IC50) values-0.62382871
2D Structure


Record No:444


DB_ACCESS_NUMBERPPIM0444
CID90655392
CHEMBL_IDCHEMBL3236647
NSC_ID
PDB_CODE
Molecular Weight (g/mol)658.63
XLogP3-AA5.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Complexity1140
Topological Polar Surface Area (A^2)126
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.2757926
Predicted Log 10(IC50) values-0.74839687
2D Structure


Record No:445


DB_ACCESS_NUMBERPPIM0445
CID90655393
CHEMBL_IDCHEMBL3236648
NSC_ID
PDB_CODE
Molecular Weight (g/mol)676.62
XLogP3-AA5.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Complexity1190
Topological Polar Surface Area (A^2)126
Heavy Atom Count45
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-5.4274005
Predicted Log 10(IC50) values-1.0374697
2D Structure


Record No:446


DB_ACCESS_NUMBERPPIM0446
CID90655394
CHEMBL_IDCHEMBL3236649
NSC_ID
PDB_CODE
Molecular Weight (g/mol)658.63
XLogP3-AA5.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Complexity1150
Topological Polar Surface Area (A^2)126
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.5080439
Predicted Log 10(IC50) values-0.85695562
2D Structure


Record No:447


DB_ACCESS_NUMBERPPIM0447
CID90655395
CHEMBL_IDCHEMBL3236650
NSC_ID
PDB_CODE
Molecular Weight (g/mol)656.65
XLogP3-AA7.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Complexity1130
Topological Polar Surface Area (A^2)100
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.861938
Predicted Log 10(IC50) values0.78728071
2D Structure


Record No:448


DB_ACCESS_NUMBERPPIM0448
CID90655396
CHEMBL_IDCHEMBL3236651
NSC_ID
PDB_CODE
Molecular Weight (g/mol)646.62
XLogP3-AA5.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity1130
Topological Polar Surface Area (A^2)118
Heavy Atom Count43
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-3.3873735
Predicted Log 10(IC50) values-0.3831493
2D Structure


Record No:449


DB_ACCESS_NUMBERPPIM0449
CID90655397
CHEMBL_IDCHEMBL3236652
NSC_ID
PDB_CODE
Molecular Weight (g/mol)663.66
XLogP3-AA6.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Complexity1130
Topological Polar Surface Area (A^2)141
Heavy Atom Count43
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.4
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-3.6032075
Predicted Log 10(IC50) values-0.89976871
2D Structure


Record No:450


DB_ACCESS_NUMBERPPIM0450
CID90655398
CHEMBL_IDCHEMBL3236653
NSC_ID
PDB_CODE
Molecular Weight (g/mol)663.66
XLogP3-AA6.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Complexity1130
Topological Polar Surface Area (A^2)141
Heavy Atom Count43
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-3.6032075
Predicted Log 10(IC50) values-0.89976871
2D Structure


Record No:451


DB_ACCESS_NUMBERPPIM0451
CID90655385
CHEMBL_IDCHEMBL3236654
NSC_ID
PDB_CODE
Molecular Weight (g/mol)677.69
XLogP3-AA6.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Complexity1150
Topological Polar Surface Area (A^2)141
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.6170326
Predicted Log 10(IC50) values-0.90090314
2D Structure


Record No:452


DB_ACCESS_NUMBERPPIM0452
CID90655399
CHEMBL_IDCHEMBL3236655
NSC_ID
PDB_CODE
Molecular Weight (g/mol)681.65
XLogP3-AA6.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Complexity1180
Topological Polar Surface Area (A^2)141
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.9219695
Predicted Log 10(IC50) values-1.0569041
2D Structure


Record No:453


DB_ACCESS_NUMBERPPIM0453
CID90655400
CHEMBL_IDCHEMBL3236656
NSC_ID
PDB_CODE
Molecular Weight (g/mol)637.65
XLogP3-AA7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity1050
Topological Polar Surface Area (A^2)104
Heavy Atom Count41
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.3
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.1387493
Predicted Log 10(IC50) values0.21723057
2D Structure


Record No:454


DB_ACCESS_NUMBERPPIM0454
CID90655401
CHEMBL_IDCHEMBL3236657
NSC_ID
PDB_CODE
Molecular Weight (g/mol)677.69
XLogP3-AA6.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Complexity1150
Topological Polar Surface Area (A^2)141
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.6218763
Predicted Log 10(IC50) values-0.90046859
2D Structure


Record No:455


DB_ACCESS_NUMBERPPIM0455
CID90655402
CHEMBL_IDCHEMBL3236658
NSC_ID
PDB_CODE
Molecular Weight (g/mol)705.75
XLogP3-AA7.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Complexity1220
Topological Polar Surface Area (A^2)141
Heavy Atom Count46
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.0860585
Predicted Log 10(IC50) values-0.79995967
2D Structure


Record No:456


DB_ACCESS_NUMBERPPIM0456
CID90655403
CHEMBL_IDCHEMBL3236659
NSC_ID
PDB_CODE
Molecular Weight (g/mol)703.73
XLogP3-AA6.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Complexity1250
Topological Polar Surface Area (A^2)141
Heavy Atom Count46
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-3.3017095
Predicted Log 10(IC50) values-0.7174949
2D Structure


Record No:457


DB_ACCESS_NUMBERPPIM0457
CID90655404
CHEMBL_IDCHEMBL3236660
NSC_ID
PDB_CODE
Molecular Weight (g/mol)713.67
XLogP3-AA7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Complexity1230
Topological Polar Surface Area (A^2)141
Heavy Atom Count46
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-3.6631834
Predicted Log 10(IC50) values-0.67951149
2D Structure


Record No:458


DB_ACCESS_NUMBERPPIM0458
CID90655405
CHEMBL_IDCHEMBL3236661
NSC_ID
PDB_CODE
Molecular Weight (g/mol)731.66
XLogP3-AA7.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Complexity1280
Topological Polar Surface Area (A^2)141
Heavy Atom Count47
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.3447059
Predicted Log 10(IC50) values-0.70238547
2D Structure


Record No:459


DB_ACCESS_NUMBERPPIM0459
CID90655406
CHEMBL_IDCHEMBL3236662
NSC_ID
PDB_CODE
Molecular Weight (g/mol)679.62
XLogP3-AA5.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Complexity1190
Topological Polar Surface Area (A^2)126
Heavy Atom Count45
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-5.4553903
Predicted Log 10(IC50) values-1.013256
2D Structure


Record No:460


DB_ACCESS_NUMBERPPIM0460
CID90655407
CHEMBL_IDCHEMBL3236663
NSC_ID
PDB_CODE
Molecular Weight (g/mol)661.63
XLogP3-AA5.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Complexity1150
Topological Polar Surface Area (A^2)142
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-3.7814297
Predicted Log 10(IC50) values-1.0342901
2D Structure


Record No:461


DB_ACCESS_NUMBERPPIM0461
CID90655408
CHEMBL_IDCHEMBL3236664
NSC_ID
PDB_CODE
Molecular Weight (g/mol)660.65
XLogP3-AA5.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Complexity1150
Topological Polar Surface Area (A^2)129
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.2
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.4071606
Predicted Log 10(IC50) values-0.95639462
2D Structure


Record No:462


DB_ACCESS_NUMBERPPIM0462
CID73386676
CHEMBL_IDCHEMBL3236665
NSC_ID
PDB_CODE
Molecular Weight (g/mol)659.61
XLogP3-AA5.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Complexity1150
Topological Polar Surface Area (A^2)122
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.1
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.7270534
Predicted Log 10(IC50) values-0.72726056
2D Structure


Record No:463


DB_ACCESS_NUMBERPPIM0463
CID73386679
CHEMBL_IDCHEMBL3236666
NSC_ID
PDB_CODE
Molecular Weight (g/mol)556.49
XLogP3-AA4.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Complexity878
Topological Polar Surface Area (A^2)109
Heavy Atom Count36
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)9
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.33168
Predicted Log 10(IC50) values0.49273075
2D Structure


Record No:464


DB_ACCESS_NUMBERPPIM0464
CID90655409
CHEMBL_IDCHEMBL3236667
NSC_ID
PDB_CODE
Molecular Weight (g/mol)657.64
XLogP3-AA6.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity1140
Topological Polar Surface Area (A^2)113
Heavy Atom Count44
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)0.5
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.7419664
Predicted Log 10(IC50) values-0.21085599
2D Structure


Record No:465


DB_ACCESS_NUMBERPPIM0465
CID56846713
CHEMBL_IDCHEMBL3259830
NSC_ID
PDB_CODE
Molecular Weight (g/mol)476.35
XLogP3-AA4.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity693
Topological Polar Surface Area (A^2)103
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.32491204
Predicted Log 10(IC50) values2.8654782
2D Structure


Record No:466


DB_ACCESS_NUMBERPPIM0466
CID90643717
CHEMBL_IDCHEMBL3259872
NSC_ID
PDB_CODE
Molecular Weight (g/mol)364.62
XLogP3-AA4.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Complexity442
Topological Polar Surface Area (A^2)38.3
Heavy Atom Count21
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.26673568
Predicted Log 10(IC50) values3.4185747
2D Structure


Record No:467


DB_ACCESS_NUMBERPPIM0467
CID67954414
CHEMBL_IDCHEMBL3260809
NSC_ID
PDB_CODE
Molecular Weight (g/mol)409.26
XLogP3-AA6.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity543
Topological Polar Surface Area (A^2)55.1
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)120
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1816107
Predicted Log 10(IC50) values2.5212071
2D Structure


Record No:468


DB_ACCESS_NUMBERPPIM0468
CID67035866
CHEMBL_IDCHEMBL3260810
NSC_ID
PDB_CODE
Molecular Weight (g/mol)423.29
XLogP3-AA6.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity571
Topological Polar Surface Area (A^2)55.1
Heavy Atom Count29
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)11
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0860419
Predicted Log 10(IC50) values2.7095247
2D Structure


Record No:469


DB_ACCESS_NUMBERPPIM0469
CID67035746
CHEMBL_IDCHEMBL3260811
NSC_ID
PDB_CODE
Molecular Weight (g/mol)427.25
XLogP3-AA6.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity577
Topological Polar Surface Area (A^2)55.1
Heavy Atom Count29
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)7
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0940501
Predicted Log 10(IC50) values2.7820467
2D Structure


Record No:470


DB_ACCESS_NUMBERPPIM0470
CID50996417
CHEMBL_IDCHEMBL3260812
NSC_ID
PDB_CODE
Molecular Weight (g/mol)437.32
XLogP3-AA6.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity606
Topological Polar Surface Area (A^2)55.1
Heavy Atom Count30
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)8
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0713925
Predicted Log 10(IC50) values3.2063759
2D Structure


Record No:471


DB_ACCESS_NUMBERPPIM0471
CID67954174
CHEMBL_IDCHEMBL3260813
NSC_ID
PDB_CODE
Molecular Weight (g/mol)445.24
XLogP3-AA6.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Complexity610
Topological Polar Surface Area (A^2)55.1
Heavy Atom Count30
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1245447
Predicted Log 10(IC50) values3.1715593
2D Structure


Record No:472


DB_ACCESS_NUMBERPPIM0472
CID67954173
CHEMBL_IDCHEMBL3260814
NSC_ID
PDB_CODE
Molecular Weight (g/mol)451.29
XLogP3-AA6.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Complexity610
Topological Polar Surface Area (A^2)55.1
Heavy Atom Count30
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)4
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values3.0472676
2D Structure


Record No:473


DB_ACCESS_NUMBERPPIM0473
CID67032018
CHEMBL_IDCHEMBL3260815
NSC_ID
PDB_CODE
Molecular Weight (g/mol)450.31
XLogP3-AA6.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity609
Topological Polar Surface Area (A^2)60.9
Heavy Atom Count30
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)18
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1264911
Predicted Log 10(IC50) values2.975046
2D Structure


Record No:474


DB_ACCESS_NUMBERPPIM0474
CID67032499
CHEMBL_IDCHEMBL3260816
NSC_ID
PDB_CODE
Molecular Weight (g/mol)475.32
XLogP3-AA6.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Complexity629
Topological Polar Surface Area (A^2)72.3
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.91409522
Predicted Log 10(IC50) values1.8951522
2D Structure


Record No:475


DB_ACCESS_NUMBERPPIM0475
CID67031670
CHEMBL_IDCHEMBL3260817
NSC_ID
PDB_CODE
Molecular Weight (g/mol)489.34
XLogP3-AA6.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Complexity660
Topological Polar Surface Area (A^2)56.7
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)25
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.89100741
Predicted Log 10(IC50) values1.4676764
2D Structure


Record No:476


DB_ACCESS_NUMBERPPIM0476
CID67954546
CHEMBL_IDCHEMBL3260818
NSC_ID
PDB_CODE
Molecular Weight (g/mol)490.33
XLogP3-AA6.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Complexity662
Topological Polar Surface Area (A^2)82.8
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)6
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.46947578
Predicted Log 10(IC50) values0.87742667
2D Structure


Record No:477


DB_ACCESS_NUMBERPPIM0477
CID67032045
CHEMBL_IDCHEMBL3260819
NSC_ID
PDB_CODE
Molecular Weight (g/mol)561.41
XLogP3-AA5.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Complexity814
Topological Polar Surface Area (A^2)112
Heavy Atom Count38
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)4
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.082820858
Predicted Log 10(IC50) values3.1334806
2D Structure


Record No:478


DB_ACCESS_NUMBERPPIM0478
CID67954180
CHEMBL_IDCHEMBL3260820
NSC_ID
PDB_CODE
Molecular Weight (g/mol)623.48
XLogP3-AA6.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Complexity931
Topological Polar Surface Area (A^2)112
Heavy Atom Count43
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)6
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4573048
Predicted Log 10(IC50) values0.87874713
2D Structure


Record No:479


DB_ACCESS_NUMBERPPIM0479
CID67034825
CHEMBL_IDCHEMBL3260821
NSC_ID
PDB_CODE
Molecular Weight (g/mol)629.53
XLogP3-AA7.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Complexity931
Topological Polar Surface Area (A^2)112
Heavy Atom Count43
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5459323
Predicted Log 10(IC50) values1.071885
2D Structure


Record No:480


DB_ACCESS_NUMBERPPIM0480
CID60167943
CHEMBL_IDCHEMBL3260822
NSC_ID
PDB_CODE
Molecular Weight (g/mol)603.49
XLogP3-AA6.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Complexity896
Topological Polar Surface Area (A^2)112
Heavy Atom Count41
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.88987329
Predicted Log 10(IC50) values1.6891381
2D Structure


Record No:481


DB_ACCESS_NUMBERPPIM0481
CID71777715
CHEMBL_IDCHEMBL3260846
NSC_ID
PDB_CODE
Molecular Weight (g/mol)501.96
XLogP3-AA2.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity735
Topological Polar Surface Area (A^2)156
Heavy Atom Count35
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.0239226
Predicted Log 10(IC50) values3.4369082
2D Structure


Record No:482


DB_ACCESS_NUMBERPPIM0482
CID90656493
CHEMBL_IDCHEMBL3260847
NSC_ID
PDB_CODE
Molecular Weight (g/mol)423.29
XLogP3-AA6.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity571
Topological Polar Surface Area (A^2)55.1
Heavy Atom Count29
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0860419
Predicted Log 10(IC50) values2.7095247
2D Structure


Record No:483


DB_ACCESS_NUMBERPPIM0483
CID53470410
CHEMBL_IDCHEMBL3260848
NSC_ID
PDB_CODE
Molecular Weight (g/mol)477.89
XLogP3-AA4.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Complexity737
Topological Polar Surface Area (A^2)103
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.99386446
Predicted Log 10(IC50) values4.1165877
2D Structure


Record No:484


DB_ACCESS_NUMBERPPIM0484
CID90656494
CHEMBL_IDCHEMBL3260849
NSC_ID
PDB_CODE
Molecular Weight (g/mol)582.47
XLogP3-AA6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Complexity870
Topological Polar Surface Area (A^2)112
Heavy Atom Count40
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.19958809
Predicted Log 10(IC50) values1.8037824
2D Structure


Record No:485


DB_ACCESS_NUMBERPPIM0485
CID6213796
CHEMBL_IDCHEMBL3265094
NSC_ID
PDB_CODE
Molecular Weight (g/mol)315.75
XLogP3-AA3.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity453
Topological Polar Surface Area (A^2)47.6
Heavy Atom Count22
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.81042478
Predicted Log 10(IC50) values3.4144794
2D Structure


Record No:486


DB_ACCESS_NUMBERPPIM0486
CID90643708
CHEMBL_IDCHEMBL3265095
NSC_ID
PDB_CODE
Molecular Weight (g/mol)299.30
XLogP3-AA2.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Complexity453
Topological Polar Surface Area (A^2)47.6
Heavy Atom Count22
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.13754906
Predicted Log 10(IC50) values3.3170009
2D Structure


Record No:487


DB_ACCESS_NUMBERPPIM0487
CID2487662
CHEMBL_IDCHEMBL3265096
NSC_ID
PDB_CODE
Molecular Weight (g/mol)337.41
XLogP3-AA4.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Complexity476
Topological Polar Surface Area (A^2)47.6
Heavy Atom Count25
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0491675
Predicted Log 10(IC50) values3.1085776
2D Structure


Record No:488


DB_ACCESS_NUMBERPPIM0488
CID90643709
CHEMBL_IDCHEMBL3265097
NSC_ID
PDB_CODE
Molecular Weight (g/mol)371.86
XLogP3-AA5.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Complexity510
Topological Polar Surface Area (A^2)47.6
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4371592
Predicted Log 10(IC50) values2.8490945
2D Structure


Record No:489


DB_ACCESS_NUMBERPPIM0489
CID90643710
CHEMBL_IDCHEMBL3265098
NSC_ID
PDB_CODE
Molecular Weight (g/mol)371.86
XLogP3-AA5.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Complexity533
Topological Polar Surface Area (A^2)47.6
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.7140389
Predicted Log 10(IC50) values3.1815581
2D Structure


Record No:490


DB_ACCESS_NUMBERPPIM0490
CID90643711
CHEMBL_IDCHEMBL3265099
NSC_ID
PDB_CODE
Molecular Weight (g/mol)371.86
XLogP3-AA5.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Complexity533
Topological Polar Surface Area (A^2)47.6
Heavy Atom Count26
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.7140389
Predicted Log 10(IC50) values3.1815581
2D Structure


Record No:491


DB_ACCESS_NUMBERPPIM0491
CID90643712
CHEMBL_IDCHEMBL3265100
NSC_ID
PDB_CODE
Molecular Weight (g/mol)386.83
XLogP3-AA4.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity661
Topological Polar Surface Area (A^2)62.1
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3830496
Predicted Log 10(IC50) values5.1821145
2D Structure


Record No:492


DB_ACCESS_NUMBERPPIM0492
CID90643713
CHEMBL_IDCHEMBL3265101
NSC_ID
PDB_CODE
Molecular Weight (g/mol)370.38
XLogP3-AA4.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Complexity661
Topological Polar Surface Area (A^2)62.1
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1916764
Predicted Log 10(IC50) values4.8776309
2D Structure


Record No:493


DB_ACCESS_NUMBERPPIM0493
CID90643714
CHEMBL_IDCHEMBL3265102
NSC_ID
PDB_CODE
Molecular Weight (g/mol)386.83
XLogP3-AA4.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity661
Topological Polar Surface Area (A^2)62.1
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3830496
Predicted Log 10(IC50) values5.1821145
2D Structure


Record No:494


DB_ACCESS_NUMBERPPIM0494
CID90643715
CHEMBL_IDCHEMBL3265103
NSC_ID
PDB_CODE
Molecular Weight (g/mol)396.26
XLogP3-AA5.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Complexity573
Topological Polar Surface Area (A^2)38.3
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.504906
Predicted Log 10(IC50) values3.3253182
2D Structure


Record No:495


DB_ACCESS_NUMBERPPIM0495
CID90643716
CHEMBL_IDCHEMBL3265104
NSC_ID
PDB_CODE
Molecular Weight (g/mol)379.81
XLogP3-AA5.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity575
Topological Polar Surface Area (A^2)38.3
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4353474
Predicted Log 10(IC50) values3.7374926
2D Structure


Record No:496


DB_ACCESS_NUMBERPPIM0496
CID90644878
CHEMBL_IDCHEMBL3286447
NSC_ID
PDB_CODE
Molecular Weight (g/mol)400.48
XLogP3-AA6.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Complexity598
Topological Polar Surface Area (A^2)46
Heavy Atom Count31
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)360
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0319332
Predicted Log 10(IC50) values3.5892617
2D Structure


Record No:497


DB_ACCESS_NUMBERPPIM0497
CID90681222
CHEMBL_IDCHEMBL3288447
NSC_ID
PDB_CODE
Molecular Weight (g/mol)717.10
XLogP3-AA
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Complexity1070
Topological Polar Surface Area (A^2)84.4
Heavy Atom Count49
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Experimentally verified IC50 values (nM)169
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.8978382
Predicted Log 10(IC50) values3.0518061
2D Structure


Record No:498


DB_ACCESS_NUMBERPPIM0498
CID90681223
CHEMBL_IDCHEMBL3288448
NSC_ID
PDB_CODE
Molecular Weight (g/mol)757.17
XLogP3-AA
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Complexity1160
Topological Polar Surface Area (A^2)84.4
Heavy Atom Count52
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Experimentally verified IC50 values (nM)41
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-6.3818052
Predicted Log 10(IC50) values2.3732862
2D Structure


Record No:499


DB_ACCESS_NUMBERPPIM0499
CID90644646
CHEMBL_IDCHEMBL3288449
NSC_ID
PDB_CODE
Molecular Weight (g/mol)759.18
XLogP3-AA
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Complexity1130
Topological Polar Surface Area (A^2)84.4
Heavy Atom Count52
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Experimentally verified IC50 values (nM)24
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-5.8772706
Predicted Log 10(IC50) values1.8516688
2D Structure


Record No:500


DB_ACCESS_NUMBERPPIM0500
CID90644647
CHEMBL_IDCHEMBL3288450
NSC_ID
PDB_CODE
Molecular Weight (g/mol)791.18
XLogP3-AA
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Complexity1180
Topological Polar Surface Area (A^2)125
Heavy Atom Count54
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Experimentally verified IC50 values (nM)16
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-5.9017742
Predicted Log 10(IC50) values1.3016984
2D Structure


Record No:501


DB_ACCESS_NUMBERPPIM0501
CID90644648
CHEMBL_IDCHEMBL3288451
NSC_ID
PDB_CODE
Molecular Weight (g/mol)761.15
XLogP3-AA
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Complexity1130
Topological Polar Surface Area (A^2)105
Heavy Atom Count52
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Experimentally verified IC50 values (nM)24
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsCYP3A4, CYP2C9, CYP2D6
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-6.2251011
Predicted Log 10(IC50) values1.2780574
2D Structure


Record No:502


DB_ACCESS_NUMBERPPIM0502
CID90644127
CHEMBL_IDCHEMBL3290669
NSC_ID
PDB_CODE
Molecular Weight (g/mol)616.47
XLogP3-AA7.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Complexity922
Topological Polar Surface Area (A^2)55.8
Heavy Atom Count40
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.20858264
Predicted Log 10(IC50) values3.2818214
2D Structure


Record No:503


DB_ACCESS_NUMBERPPIM0503
CID90644126
CHEMBL_IDCHEMBL3290670
NSC_ID
PDB_CODE
Molecular Weight (g/mol)630.50
XLogP3-AA7.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Complexity961
Topological Polar Surface Area (A^2)55.8
Heavy Atom Count41
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.16521088
Predicted Log 10(IC50) values2.6818774
2D Structure


Record No:504


DB_ACCESS_NUMBERPPIM0504
CID90644128
CHEMBL_IDCHEMBL3290671
NSC_ID
PDB_CODE
Molecular Weight (g/mol)602.44
XLogP3-AA7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Complexity893
Topological Polar Surface Area (A^2)55.8
Heavy Atom Count39
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.32674396
Predicted Log 10(IC50) values4.2476428
2D Structure


Record No:505


DB_ACCESS_NUMBERPPIM0505
CID90644129
CHEMBL_IDCHEMBL3290672
NSC_ID
PDB_CODE
Molecular Weight (g/mol)588.42
XLogP3-AA6.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Complexity878
Topological Polar Surface Area (A^2)55.8
Heavy Atom Count38
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.16710187
Predicted Log 10(IC50) values4.7891767
2D Structure


Record No:506


DB_ACCESS_NUMBERPPIM0506
CID90644130
CHEMBL_IDCHEMBL3290673
NSC_ID
PDB_CODE
Molecular Weight (g/mol)576.38
XLogP3-AA6.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Complexity862
Topological Polar Surface Area (A^2)46.6
Heavy Atom Count37
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.36212038
Predicted Log 10(IC50) values5.5171268
2D Structure


Record No:507


DB_ACCESS_NUMBERPPIM0507
CID90644131
CHEMBL_IDCHEMBL3290674
NSC_ID
PDB_CODE
Molecular Weight (g/mol)558.39
XLogP3-AA6.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Complexity820
Topological Polar Surface Area (A^2)46.6
Heavy Atom Count36
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.0024246216
Predicted Log 10(IC50) values5.4445436
2D Structure


Record No:508


DB_ACCESS_NUMBERPPIM0508
CID90644132
CHEMBL_IDCHEMBL3290675
NSC_ID
PDB_CODE
Molecular Weight (g/mol)491.38
XLogP3-AA4.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity708
Topological Polar Surface Area (A^2)59.5
Heavy Atom Count32
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0897882
Predicted Log 10(IC50) values2.8855024
2D Structure


Record No:509


DB_ACCESS_NUMBERPPIM0509
CID90644133
CHEMBL_IDCHEMBL3290676
NSC_ID
PDB_CODE
Molecular Weight (g/mol)691.58
XLogP3-AA9.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Complexity1080
Topological Polar Surface Area (A^2)58.6
Heavy Atom Count46
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.2505015
Predicted Log 10(IC50) values4.7910059
2D Structure


Record No:510


DB_ACCESS_NUMBERPPIM0510
CID86298586
CHEMBL_IDCHEMBL3290677
NSC_ID
PDB_CODE
Molecular Weight (g/mol)677.56
XLogP3-AA9.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Complexity1040
Topological Polar Surface Area (A^2)58.6
Heavy Atom Count45
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-1.8962656
Predicted Log 10(IC50) values3.7400492
2D Structure


Record No:511


DB_ACCESS_NUMBERPPIM0511
CID90644134
CHEMBL_IDCHEMBL3290678
NSC_ID
PDB_CODE
Molecular Weight (g/mol)663.53
XLogP3-AA8.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Complexity1020
Topological Polar Surface Area (A^2)58.6
Heavy Atom Count44
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-1.1671773
Predicted Log 10(IC50) values3.1482674
2D Structure


Record No:512


DB_ACCESS_NUMBERPPIM0512
CID90644135
CHEMBL_IDCHEMBL3290679
NSC_ID
PDB_CODE
Molecular Weight (g/mol)649.50
XLogP3-AA8.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Complexity999
Topological Polar Surface Area (A^2)58.6
Heavy Atom Count43
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.56714984
Predicted Log 10(IC50) values2.750242
2D Structure


Record No:513


DB_ACCESS_NUMBERPPIM0513
CID90644136
CHEMBL_IDCHEMBL3290680
NSC_ID
PDB_CODE
Molecular Weight (g/mol)637.47
XLogP3-AA8.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Complexity983
Topological Polar Surface Area (A^2)49.4
Heavy Atom Count42
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical Applicationno
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.84371589
Predicted Log 10(IC50) values3.0927366
2D Structure


Record No:514


DB_ACCESS_NUMBERPPIM0514
CID90644137
CHEMBL_IDCHEMBL3290681
NSC_ID
PDB_CODE
Molecular Weight (g/mol)619.48
XLogP3-AA8.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Complexity941
Topological Polar Surface Area (A^2)49.4
Heavy Atom Count41
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.56566193
Predicted Log 10(IC50) values3.2799844
2D Structure


Record No:515


DB_ACCESS_NUMBERPPIM0515
CID86298587
CHEMBL_IDCHEMBL3290682
NSC_ID
PDB_CODE
Molecular Weight (g/mol)552.47
XLogP3-AA6.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity824
Topological Polar Surface Area (A^2)62.3
Heavy Atom Count37
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.44469535
Predicted Log 10(IC50) values4.8190711
2D Structure


Record No:516


DB_ACCESS_NUMBERPPIM0516
CID90644138
CHEMBL_IDCHEMBL3290683
NSC_ID
PDB_CODE
Molecular Weight (g/mol)569.50
XLogP3-AA6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Complexity843
Topological Polar Surface Area (A^2)67.2
Heavy Atom Count38
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count0
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.33404755
Predicted Log 10(IC50) values4.5839387
2D Structure


Record No:517


DB_ACCESS_NUMBERPPIM0517
CID90644876
CHEMBL_IDCHEMBL3291217
NSC_ID
PDB_CODE
Molecular Weight (g/mol)299.37
XLogP3-AA3.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Complexity582
Topological Polar Surface Area (A^2)36.4
Heavy Atom Count23
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)990
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-1.8458273
Predicted Log 10(IC50) values3.156565
2D Structure


Record No:518


DB_ACCESS_NUMBERPPIM0518
CID90644889
CHEMBL_IDCHEMBL3291218
NSC_ID
PDB_CODE
Molecular Weight (g/mol)375.47
XLogP3-AA5.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity723
Topological Polar Surface Area (A^2)27.6
Heavy Atom Count29
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)970
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.94011603
Predicted Log 10(IC50) values3.0866591
2D Structure


Record No:519


DB_ACCESS_NUMBERPPIM0519
CID90644888
CHEMBL_IDCHEMBL3291219
NSC_ID
PDB_CODE
Molecular Weight (g/mol)300.36
XLogP3-AA3.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Complexity585
Topological Polar Surface Area (A^2)33.6
Heavy Atom Count23
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)940
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-1.9359272
Predicted Log 10(IC50) values3.0732459
2D Structure


Record No:520


DB_ACCESS_NUMBERPPIM0520
CID90644887
CHEMBL_IDCHEMBL3291220
NSC_ID
PDB_CODE
Molecular Weight (g/mol)375.43
XLogP3-AA3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Complexity937
Topological Polar Surface Area (A^2)63.8
Heavy Atom Count29
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)910
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-3.6173554
Predicted Log 10(IC50) values3.0586788
2D Structure


Record No:521


DB_ACCESS_NUMBERPPIM0521
CID90644886
CHEMBL_IDCHEMBL3291221
NSC_ID
PDB_CODE
Molecular Weight (g/mol)351.41
XLogP3-AA2.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Complexity799
Topological Polar Surface Area (A^2)52.4
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)890
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-4.0102851
Predicted Log 10(IC50) values2.8487424
2D Structure


Record No:522


DB_ACCESS_NUMBERPPIM0522
CID90644877
CHEMBL_IDCHEMBL3291222
NSC_ID
PDB_CODE
Molecular Weight (g/mol)352.40
XLogP3-AA3.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Complexity801
Topological Polar Surface Area (A^2)64.7
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)840
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-3.2749239
Predicted Log 10(IC50) values3.0244059
2D Structure


Record No:523


DB_ACCESS_NUMBERPPIM0523
CID90644879
CHEMBL_IDCHEMBL3291433
NSC_ID
PDB_CODE
Molecular Weight (g/mol)410.49
XLogP3-AA4.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity645
Topological Polar Surface Area (A^2)102
Heavy Atom Count30
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)440
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.45066251
Predicted Log 10(IC50) values3.9714923
2D Structure


Record No:524


DB_ACCESS_NUMBERPPIM0524
CID90644880
CHEMBL_IDCHEMBL3291434
NSC_ID
PDB_CODE
Molecular Weight (g/mol)366.46
XLogP3-AA5.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Complexity523
Topological Polar Surface Area (A^2)45.8
Heavy Atom Count28
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)810
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4886256
Predicted Log 10(IC50) values3.1307281
2D Structure


Record No:525


DB_ACCESS_NUMBERPPIM0525
CID90644881
CHEMBL_IDCHEMBL3291435
NSC_ID
PDB_CODE
Molecular Weight (g/mol)396.49
XLogP3-AA5.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Complexity555
Topological Polar Surface Area (A^2)55
Heavy Atom Count30
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)780
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2319479
Predicted Log 10(IC50) values2.7919815
2D Structure


Record No:526


DB_ACCESS_NUMBERPPIM0526
CID90644882
CHEMBL_IDCHEMBL3291436
NSC_ID
PDB_CODE
Molecular Weight (g/mol)458.56
XLogP3-AA6.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Complexity665
Topological Polar Surface Area (A^2)55
Heavy Atom Count35
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)610
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.55019066
Predicted Log 10(IC50) values3.7339178
2D Structure


Record No:527


DB_ACCESS_NUMBERPPIM0527
CID90644883
CHEMBL_IDCHEMBL3291437
NSC_ID
PDB_CODE
Molecular Weight (g/mol)351.40
XLogP3-AA4.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Complexity673
Topological Polar Surface Area (A^2)68.7
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)570
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.72211015
Predicted Log 10(IC50) values4.4422838
2D Structure


Record No:528


DB_ACCESS_NUMBERPPIM0528
CID90644884
CHEMBL_IDCHEMBL3291438
NSC_ID
PDB_CODE
Molecular Weight (g/mol)398.46
XLogP3-AA4.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Complexity701
Topological Polar Surface Area (A^2)71.2
Heavy Atom Count30
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)550
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2304012
Predicted Log 10(IC50) values5.2987361
2D Structure


Record No:529


DB_ACCESS_NUMBERPPIM0529
CID90644885
CHEMBL_IDCHEMBL3291439
NSC_ID
PDB_CODE
Molecular Weight (g/mol)609.54
XLogP3-AA6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Complexity846
Topological Polar Surface Area (A^2)80.1
Heavy Atom Count42
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)260
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.39335528
Predicted Log 10(IC50) values4.5927436
2D Structure


Record No:530


DB_ACCESS_NUMBERPPIM0530
CID811
CHEMBL_IDCHEMBL359159
NSC_IDNSC3357
PDB_CODE
Molecular Weight (g/mol)130.09
XLogP3-AA-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Complexity158
Topological Polar Surface Area (A^2)74.6
Heavy Atom Count9
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)5.8
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (FDA UNII &useful for treating inflammatory disease and cancer)
Off TargetsVDR, TSHR, Thrb, RXRA, Rorc, RARA, PPARG
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID19655059, 13663
Protein-Protein Interaction Modulator SVM score0.89184855
Predicted Log 10(IC50) values0.86332836
2D Structure


Record No:531


DB_ACCESS_NUMBERPPIM0531
CID11250180
CHEMBL_IDCHEMBL359955
NSC_ID
PDB_CODE
Molecular Weight (g/mol)581.18
XLogP3-AA5.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity725
Topological Polar Surface Area (A^2)86.7
Heavy Atom Count32
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1736571
Predicted Log 10(IC50) values2.6896732
2D Structure


Record No:532


DB_ACCESS_NUMBERPPIM0532
CID44390678
CHEMBL_IDCHEMBL360540
NSC_ID
PDB_CODE
Molecular Weight (g/mol)551.46
XLogP3-AA5.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Complexity858
Topological Polar Surface Area (A^2)77.9
Heavy Atom Count38
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)13000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID15780621
Protein-Protein Interaction Modulator SVM score1.1888101
Predicted Log 10(IC50) values3.2892713
2D Structure


Record No:533


DB_ACCESS_NUMBERPPIM0533
CID656933
CHEMBL_IDCHEMBL361103
NSC_ID
PDB_CODE
Molecular Weight (g/mol)581.18
XLogP3-AA5.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity725
Topological Polar Surface Area (A^2)86.7
Heavy Atom Count32
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)200
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer & IMPROVING THE PRODUCTION OF INFLUENZA VIRUSES AND VACCINE
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1736571
Predicted Log 10(IC50) values2.6896732
2D Structure


Record No:534


DB_ACCESS_NUMBERPPIM0534
CID11952782
CHEMBL_IDCHEMBL377203
NSC_ID
PDB_CODE
Molecular Weight (g/mol)679.38
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity856
Topological Polar Surface Area (A^2)79.1
Heavy Atom Count39
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)367
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2449874
Predicted Log 10(IC50) values3.845136
2D Structure


Record No:535


DB_ACCESS_NUMBERPPIM0535
CID44412115
CHEMBL_IDCHEMBL377462
NSC_ID
PDB_CODE
Molecular Weight (g/mol)652.31
XLogP3-AA3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity833
Topological Polar Surface Area (A^2)81.2
Heavy Atom Count37
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)36000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.93001066
Predicted Log 10(IC50) values4.1538041
2D Structure


Record No:536


DB_ACCESS_NUMBERPPIM0536
CID44176199
CHEMBL_IDCHEMBL377524
NSC_ID
PDB_CODE
Molecular Weight (g/mol)637.29
XLogP3-AA5.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity786
Topological Polar Surface Area (A^2)77.9
Heavy Atom Count36
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)8220
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0672771
Predicted Log 10(IC50) values4.0152465
2D Structure


Record No:537


DB_ACCESS_NUMBERPPIM0537
CID11952783
CHEMBL_IDCHEMBL377614
NSC_ID
PDB_CODE
Molecular Weight (g/mol)666.33
XLogP3-AA5.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Complexity858
Topological Polar Surface Area (A^2)104
Heavy Atom Count38
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)250
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4548036
Predicted Log 10(IC50) values3.5107639
2D Structure


Record No:538


DB_ACCESS_NUMBERPPIM0538
CID11952784
CHEMBL_IDCHEMBL377639
NSC_ID
PDB_CODE
Molecular Weight (g/mol)679.38
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity856
Topological Polar Surface Area (A^2)79.1
Heavy Atom Count39
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)13100
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2449874
Predicted Log 10(IC50) values3.845136
2D Structure


Record No:539


DB_ACCESS_NUMBERPPIM0539
CID11663211
CHEMBL_IDCHEMBL377775
NSC_ID
PDB_CODE
Molecular Weight (g/mol)492.41
XLogP3-AA4.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity775
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count33
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1719792
Predicted Log 10(IC50) values3.5821364
2D Structure


Record No:540


DB_ACCESS_NUMBERPPIM0540
CID44176177
CHEMBL_IDCHEMBL378030
NSC_ID
PDB_CODE
Molecular Weight (g/mol)668.32
XLogP3-AA5.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity829
Topological Polar Surface Area (A^2)53.1
Heavy Atom Count38
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)8600
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.6798994
Predicted Log 10(IC50) values4.0744324
2D Structure


Record No:541


DB_ACCESS_NUMBERPPIM0541
CID11351960
CHEMBL_IDCHEMBL378100
NSC_ID
PDB_CODE
Molecular Weight (g/mol)474.42
XLogP3-AA4.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity739
Topological Polar Surface Area (A^2)61.4
Heavy Atom Count32
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5284114
Predicted Log 10(IC50) values3.6890633
2D Structure


Record No:542


DB_ACCESS_NUMBERPPIM0542
CID11621174
CHEMBL_IDCHEMBL378638
NSC_ID
PDB_CODE
Molecular Weight (g/mol)577.52
XLogP3-AA4.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Complexity900
Topological Polar Surface Area (A^2)82.7
Heavy Atom Count39
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.303682
Predicted Log 10(IC50) values1.9521569
2D Structure


Record No:543


DB_ACCESS_NUMBERPPIM0543
CID44411911
CHEMBL_IDCHEMBL378662
NSC_ID
PDB_CODE
Molecular Weight (g/mol)692.37
XLogP3-AA4.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Complexity931
Topological Polar Surface Area (A^2)99
Heavy Atom Count40
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1550
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score2.2048963
Predicted Log 10(IC50) values3.0898345
2D Structure


Record No:544


DB_ACCESS_NUMBERPPIM0544
CID21060006
CHEMBL_IDCHEMBL378851
NSC_ID
PDB_CODE
Molecular Weight (g/mol)664.36
XLogP3-AA5.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Complexity815
Topological Polar Surface Area (A^2)53.1
Heavy Atom Count38
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)6250
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.82856005
Predicted Log 10(IC50) values3.9287741
2D Structure


Record No:545


DB_ACCESS_NUMBERPPIM0545
CID44176180
CHEMBL_IDCHEMBL378998
NSC_ID
PDB_CODE
Molecular Weight (g/mol)651.37
XLogP3-AA5.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity781
Topological Polar Surface Area (A^2)69.9
Heavy Atom Count37
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2830
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1876354
Predicted Log 10(IC50) values3.9435689
2D Structure


Record No:546


DB_ACCESS_NUMBERPPIM0546
CID11512578
CHEMBL_IDCHEMBL379173
NSC_ID
PDB_CODE
Molecular Weight (g/mol)577.52
XLogP3-AA4.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Complexity900
Topological Polar Surface Area (A^2)82.7
Heavy Atom Count39
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)9
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.303682
Predicted Log 10(IC50) values1.9521569
2D Structure


Record No:547


DB_ACCESS_NUMBERPPIM0547
CID44412775
CHEMBL_IDCHEMBL379293
NSC_ID
PDB_CODE
Molecular Weight (g/mol)651.32
XLogP3-AA6.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity816
Topological Polar Surface Area (A^2)77.9
Heavy Atom Count37
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)850
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.96595316
Predicted Log 10(IC50) values3.9968268
2D Structure


Record No:548


DB_ACCESS_NUMBERPPIM0548
CID44176183
CHEMBL_IDCHEMBL379487
NSC_ID
PDB_CODE
Molecular Weight (g/mol)706.45
XLogP3-AA5.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Complexity885
Topological Polar Surface Area (A^2)73.1
Heavy Atom Count41
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)5660
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.91860182
Predicted Log 10(IC50) values3.6522936
2D Structure


Record No:549


DB_ACCESS_NUMBERPPIM0549
CID11512421
CHEMBL_IDCHEMBL379505
NSC_ID
PDB_CODE
Molecular Weight (g/mol)559.53
XLogP3-AA4.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity863
Topological Polar Surface Area (A^2)82.7
Heavy Atom Count38
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)800
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4076162
Predicted Log 10(IC50) values2.8037097
2D Structure


Record No:550


DB_ACCESS_NUMBERPPIM0550
CID44176185
CHEMBL_IDCHEMBL379656
NSC_ID
PDB_CODE
Molecular Weight (g/mol)595.21
XLogP3-AA5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Complexity740
Topological Polar Surface Area (A^2)86.7
Heavy Atom Count33
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)540
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2566303
Predicted Log 10(IC50) values3.4260762
2D Structure


Record No:551


DB_ACCESS_NUMBERPPIM0551
CID44176176
CHEMBL_IDCHEMBL380178
NSC_ID
PDB_CODE
Molecular Weight (g/mol)679.38
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity841
Topological Polar Surface Area (A^2)79.1
Heavy Atom Count39
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3600
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2481822
Predicted Log 10(IC50) values3.8609203
2D Structure


Record No:552


DB_ACCESS_NUMBERPPIM0552
CID44176174
CHEMBL_IDCHEMBL380209
NSC_ID
PDB_CODE
Molecular Weight (g/mol)695.37
XLogP3-AA6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Complexity845
Topological Polar Surface Area (A^2)68.3
Heavy Atom Count40
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)12500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.98977828
Predicted Log 10(IC50) values3.9696876
2D Structure


Record No:553


DB_ACCESS_NUMBERPPIM0553
CID11706629
CHEMBL_IDCHEMBL380214
NSC_ID
PDB_CODE
Molecular Weight (g/mol)549.44
XLogP3-AA5.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Complexity903
Topological Polar Surface Area (A^2)77.9
Heavy Atom Count38
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)710
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16432175, 16600
Protein-Protein Interaction Modulator SVM score1.0985816
Predicted Log 10(IC50) values2.7519712
2D Structure


Record No:554


DB_ACCESS_NUMBERPPIM0554
CID44176182
CHEMBL_IDCHEMBL380399
NSC_ID
PDB_CODE
Molecular Weight (g/mol)692.42
XLogP3-AA5.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity869
Topological Polar Surface Area (A^2)73.1
Heavy Atom Count40
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)5410
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.048881
Predicted Log 10(IC50) values3.8327185
2D Structure


Record No:555


DB_ACCESS_NUMBERPPIM0555
CID44412051
CHEMBL_IDCHEMBL382389
NSC_ID
PDB_CODE
Molecular Weight (g/mol)736.42
XLogP3-AA6.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Complexity984
Topological Polar Surface Area (A^2)98.2
Heavy Atom Count43
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2130
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.9560201
Predicted Log 10(IC50) values3.10336
2D Structure


Record No:556


DB_ACCESS_NUMBERPPIM0556
CID44176186
CHEMBL_IDCHEMBL382422
NSC_ID
PDB_CODE
Molecular Weight (g/mol)624.25
XLogP3-AA4.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Complexity774
Topological Polar Surface Area (A^2)98.7
Heavy Atom Count35
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2120
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.99956975
Predicted Log 10(IC50) values3.8712633
2D Structure


Record No:557


DB_ACCESS_NUMBERPPIM0557
CID44176189
CHEMBL_IDCHEMBL383471
NSC_ID
PDB_CODE
Molecular Weight (g/mol)651.32
XLogP3-AA5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity818
Topological Polar Surface Area (A^2)81.8
Heavy Atom Count37
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)27000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0563516
Predicted Log 10(IC50) values3.9369598
2D Structure


Record No:558


DB_ACCESS_NUMBERPPIM0558
CID11952816
CHEMBL_IDCHEMBL383727
NSC_ID
PDB_CODE
Molecular Weight (g/mol)684.87
XLogP3-AA6.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Complexity908
Topological Polar Surface Area (A^2)77.9
Heavy Atom Count40
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)980
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3250627
Predicted Log 10(IC50) values3.2237377
2D Structure


Record No:559


DB_ACCESS_NUMBERPPIM0559
CID44421760
CHEMBL_IDCHEMBL390761
NSC_ID
PDB_CODE
Molecular Weight (g/mol)391.73
XLogP3-AA4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Complexity713
Topological Polar Surface Area (A^2)61.8
Heavy Atom Count27
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.4896316
Predicted Log 10(IC50) values4.899262
2D Structure


Record No:560


DB_ACCESS_NUMBERPPIM0560
CID6539546
CHEMBL_IDCHEMBL407002
NSC_ID
PDB_CODE
Molecular Weight (g/mol)281.31
XLogP3-AA1.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity364
Topological Polar Surface Area (A^2)83.6
Heavy Atom Count21
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)11
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsYES1, TBK1, SYK, SRPK1, SRC, SGK1, RPS6KB2, RPS6KB1
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.40724559
Predicted Log 10(IC50) values2.5225984
2D Structure


Record No:561


DB_ACCESS_NUMBERPPIM0561
CID5288631
CHEMBL_IDCHEMBL407632
NSC_ID
PDB_CODE
Molecular Weight (g/mol)686.44
XLogP3-AA4.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Complexity872
Topological Polar Surface Area (A^2)77.8
Heavy Atom Count41
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)140
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (Advanced drug development and manufacturing against cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID25921402
Protein-Protein Interaction Modulator SVM score1.0856239
Predicted Log 10(IC50) values3.7344765
2D Structure


Record No:562


DB_ACCESS_NUMBERPPIM0562
CID11541499
CHEMBL_IDCHEMBL409889
NSC_ID
PDB_CODE
Molecular Weight (g/mol)575.55
XLogP3-AA5.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity897
Topological Polar Surface Area (A^2)73.5
Heavy Atom Count39
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.99944279
Predicted Log 10(IC50) values2.6969103
2D Structure


Record No:563


DB_ACCESS_NUMBERPPIM0563
CID6419753
CHEMBL_IDCHEMBL410456
NSC_ID
PDB_CODE
Molecular Weight (g/mol)398.42
XLogP3-AA2.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Complexity597
Topological Polar Surface Area (A^2)103
Heavy Atom Count30
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)200
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer and inflammatory diseases)
Off TargetsCLK1, CLK3, CSNK1G2, CSNK1G3, PAK5
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID14710188, 18077
Protein-Protein Interaction Modulator SVM score-0.1343769
Predicted Log 10(IC50) values3.3173454
2D Structure


Record No:564


DB_ACCESS_NUMBERPPIM0564
CID22046890
CHEMBL_IDCHEMBL411220
NSC_ID
PDB_CODE
Molecular Weight (g/mol)653.25
XLogP3-AA4.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Complexity877
Topological Polar Surface Area (A^2)115
Heavy Atom Count37
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1090
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.6663295
Predicted Log 10(IC50) values3.3437562
2D Structure


Record No:565


DB_ACCESS_NUMBERPPIM0565
CID44176173
CHEMBL_IDCHEMBL424876
NSC_ID
PDB_CODE
Molecular Weight (g/mol)655.31
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity771
Topological Polar Surface Area (A^2)79.3
Heavy Atom Count37
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2440
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1814144
Predicted Log 10(IC50) values4.0281955
2D Structure


Record No:566


DB_ACCESS_NUMBERPPIM0566
CID13644738
CHEMBL_IDCHEMBL425396
NSC_ID
PDB_CODE
Molecular Weight (g/mol)228.28
XLogP3-AA3.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Complexity258
Topological Polar Surface Area (A^2)63.6
Heavy Atom Count16
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.9864905
Predicted Log 10(IC50) values5.1537169
2D Structure


Record No:567


DB_ACCESS_NUMBERPPIM0567
CID44390641
CHEMBL_IDCHEMBL425528
NSC_ID
PDB_CODE
Molecular Weight (g/mol)539.29
XLogP3-AA5.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Complexity616
Topological Polar Surface Area (A^2)57.6
Heavy Atom Count31
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)15000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.000017
Predicted Log 10(IC50) values1.4844579
2D Structure


Record No:568


DB_ACCESS_NUMBERPPIM0568
CID44176188
CHEMBL_IDCHEMBL426321
NSC_ID
PDB_CODE
Molecular Weight (g/mol)680.32
XLogP3-AA5.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Complexity894
Topological Polar Surface Area (A^2)116
Heavy Atom Count39
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)870
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.7880212
Predicted Log 10(IC50) values3.1074777
2D Structure


Record No:569


DB_ACCESS_NUMBERPPIM0569
CID44176178
CHEMBL_IDCHEMBL427042
NSC_ID
PDB_CODE
Molecular Weight (g/mol)691.39
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Complexity927
Topological Polar Surface Area (A^2)79.1
Heavy Atom Count40
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)25000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.6470299
Predicted Log 10(IC50) values3.0755057
2D Structure


Record No:570


DB_ACCESS_NUMBERPPIM0570
CID11192949
CHEMBL_IDCHEMBL427316
NSC_ID
PDB_CODE
Molecular Weight (g/mol)630.36
XLogP3-AA6.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Complexity901
Topological Polar Surface Area (A^2)77.9
Heavy Atom Count39
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3600
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes(Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID15780621
Protein-Protein Interaction Modulator SVM score1.0002171
Predicted Log 10(IC50) values2.7548296
2D Structure


Record No:571


DB_ACCESS_NUMBERPPIM0571
CID22046756
CHEMBL_IDCHEMBL443053
NSC_ID
PDB_CODE
Molecular Weight (g/mol)595.21
XLogP3-AA5.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity755
Topological Polar Surface Area (A^2)77.9
Heavy Atom Count33
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2180
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.3761785
Predicted Log 10(IC50) values4.1494458
2D Structure


Record No:572


DB_ACCESS_NUMBERPPIM0572
CID25147779
CHEMBL_IDCHEMBL461462
NSC_ID
PDB_CODE
Molecular Weight (g/mol)321.39
XLogP3-AA3.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Complexity450
Topological Polar Surface Area (A^2)85.5
Heavy Atom Count23
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)58600
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.47132274
Predicted Log 10(IC50) values2.586573
2D Structure


Record No:573


DB_ACCESS_NUMBERPPIM0573
CID44588489
CHEMBL_IDCHEMBL462089
NSC_ID
PDB_CODE
Molecular Weight (g/mol)353.54
XLogP3-AA3.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Complexity284
Topological Polar Surface Area (A^2)159
Heavy Atom Count19
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)58600
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score2.5704886
Predicted Log 10(IC50) values2.9927708
2D Structure


Record No:574


DB_ACCESS_NUMBERPPIM0574
CID44588490
CHEMBL_IDCHEMBL462090
NSC_ID
PDB_CODE
Molecular Weight (g/mol)381.6
XLogP3-AA4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Complexity323
Topological Polar Surface Area (A^2)148
Heavy Atom Count21
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)120800
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.99920377
Predicted Log 10(IC50) values3.0347107
2D Structure


Record No:575


DB_ACCESS_NUMBERPPIM0575
CID44587338
CHEMBL_IDCHEMBL497305
NSC_ID
PDB_CODE
Molecular Weight (g/mol)426.29
XLogP3-AA4.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Complexity599
Topological Polar Surface Area (A^2)57.6
Heavy Atom Count29
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.330608
Predicted Log 10(IC50) values3.2576112
2D Structure


Record No:576


DB_ACCESS_NUMBERPPIM0576
CID44588491
CHEMBL_IDCHEMBL513108
NSC_ID
PDB_CODE
Molecular Weight (g/mol)321.39
XLogP3-AA2.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Complexity520
Topological Polar Surface Area (A^2)94.2
Heavy Atom Count23
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)101300
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.20578802
Predicted Log 10(IC50) values3.5082461
2D Structure


Record No:577


DB_ACCESS_NUMBERPPIM0577
CID722626
CHEMBL_IDCHEMBL514709
NSC_ID
PDB_CODE
Molecular Weight (g/mol)281.31
XLogP3-AA2.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Complexity420
Topological Polar Surface Area (A^2)47.6
Heavy Atom Count21
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)3300
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNqo1
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.67844021
Predicted Log 10(IC50) values3.2889217
2D Structure


Record No:578


DB_ACCESS_NUMBERPPIM0578
CID10173806
CHEMBL_IDCHEMBL515487
NSC_ID
PDB_CODE
Molecular Weight (g/mol)455.37
XLogP3-AA6.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Complexity600
Topological Polar Surface Area (A^2)42.8
Heavy Atom Count31
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)90
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.63974764
Predicted Log 10(IC50) values3.2630203
2D Structure


Record No:579


DB_ACCESS_NUMBERPPIM0579
CID44606647
CHEMBL_IDCHEMBL566955
NSC_ID
PDB_CODE
Molecular Weight (g/mol)538.44
XLogP3-AA3.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Complexity830
Topological Polar Surface Area (A^2)111
Heavy Atom Count36
Defined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)189
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2434428
Predicted Log 10(IC50) values1.2777985
2D Structure


Record No:580


DB_ACCESS_NUMBERPPIM0580
CID5594130
CHEMBL_IDCHEMBL567426
NSC_ID
PDB_CODE
Molecular Weight (g/mol)536.22
XLogP3-AA5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Complexity782
Topological Polar Surface Area (A^2)49.2
Heavy Atom Count31
Defined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1230
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.5706734
Predicted Log 10(IC50) values4.749628
2D Structure


Record No:581


DB_ACCESS_NUMBERPPIM0581
CID46227505
CHEMBL_IDCHEMBL570185
NSC_ID
PDB_CODE
Molecular Weight (g/mol)2128.9
XLogP3-AA5.6
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count19
Rotatable Bond Count55
Complexity3310
Topological Polar Surface Area (A^2)502
Heavy Atom Count134
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2800
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values2.9258496
2D Structure


Record No:582


DB_ACCESS_NUMBERPPIM0582
CID24877503
CHEMBL_IDCHEMBL572933
NSC_ID
PDB_CODE
Molecular Weight (g/mol)552.46
XLogP3-AA3.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Complexity845
Topological Polar Surface Area (A^2)111
Heavy Atom Count37
Defined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)44.6
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0066955
Predicted Log 10(IC50) values1.0917636
2D Structure


Record No:583


DB_ACCESS_NUMBERPPIM0583
CID44606481
CHEMBL_IDCHEMBL575121
NSC_ID
PDB_CODE
Molecular Weight (g/mol)589.57
XLogP3-AA5.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Complexity926
Topological Polar Surface Area (A^2)73.5
Heavy Atom Count40
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)32.4
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.99979123
Predicted Log 10(IC50) values2.0460497
2D Structure


Record No:584


DB_ACCESS_NUMBERPPIM0584
CID44606645
CHEMBL_IDCHEMBL575538
NSC_ID
PDB_CODE
Molecular Weight (g/mol)566.49
XLogP3-AA4.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Complexity845
Topological Polar Surface Area (A^2)88.7
Heavy Atom Count38
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)32.4
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.99905069
Predicted Log 10(IC50) values2.9460555
2D Structure


Record No:585


DB_ACCESS_NUMBERPPIM0585
CID1110
CHEMBL_IDCHEMBL576
NSC_IDNSC25949
PDB_CODE
Molecular Weight (g/mol)118.08
XLogP3-AA-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Complexity92.6
Topological Polar Surface Area (A^2)74.6
Heavy Atom Count8
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)1.3
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes ( as A drug in Clinical Trials FDA UNII)
Off TargetsVDR, USP1, TSHR, THRB, TDP1
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID15668034, 38588
Protein-Protein Interaction Modulator SVM score-2.1339055
Predicted Log 10(IC50) values1.2237308
2D Structure


Record No:586


DB_ACCESS_NUMBERPPIM0586
CID25001753
CHEMBL_IDCHEMBL576342
NSC_ID
PDB_CODE
Molecular Weight (g/mol)552.46
XLogP3-AA3.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Complexity845
Topological Polar Surface Area (A^2)111
Heavy Atom Count37
Defined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)157
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0066955
Predicted Log 10(IC50) values1.0917636
2D Structure


Record No:587


DB_ACCESS_NUMBERPPIM0587
CID44606480
CHEMBL_IDCHEMBL577393
NSC_ID
PDB_CODE
Molecular Weight (g/mol)590.56
XLogP3-AA4.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Complexity928
Topological Polar Surface Area (A^2)76.7
Heavy Atom Count40
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)25.7
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1893897
Predicted Log 10(IC50) values1.8152268
2D Structure


Record No:588


DB_ACCESS_NUMBERPPIM0588
CID11599265
CHEMBL_IDCHEMBL578028
NSC_ID
PDB_CODE
Molecular Weight (g/mol)552.46
XLogP3-AA3.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Complexity845
Topological Polar Surface Area (A^2)111
Heavy Atom Count37
Defined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)16.4
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0066955
Predicted Log 10(IC50) values1.0917636
2D Structure


Record No:589


DB_ACCESS_NUMBERPPIM0589
CID44606646
CHEMBL_IDCHEMBL578238
NSC_ID
PDB_CODE
Molecular Weight (g/mol)534.47
XLogP3-AA3.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Complexity808
Topological Polar Surface Area (A^2)111
Heavy Atom Count36
Defined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)56
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.99940639
Predicted Log 10(IC50) values2.0269016
2D Structure


Record No:590


DB_ACCESS_NUMBERPPIM0590
CID45482969
CHEMBL_IDCHEMBL582845
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1702.2
XLogP3-AA4.1
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count21
Rotatable Bond Count41
Complexity3680
Topological Polar Surface Area (A^2)572
Heavy Atom Count121
Defined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)140
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values2.9061299
2D Structure


Record No:591


DB_ACCESS_NUMBERPPIM0591
CID575125
CHEMBL_IDCHEMBL583959
NSC_ID
PDB_CODE
Molecular Weight (g/mol)292.49
XLogP3-AA2.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Complexity242
Topological Polar Surface Area (A^2)121
Heavy Atom Count16
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)250
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes (useful for the treatment of cancer)
Off TargetsMGLL, KDM4A, ALDH1A1, FAAH
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.99941324
Predicted Log 10(IC50) values3.9812289
2D Structure


Record No:592


DB_ACCESS_NUMBERPPIM0592
CID44472957
CHEMBL_IDCHEMBL593074
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1068.9
XLogP3-AA1.2
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count33
Complexity1500
Topological Polar Surface Area (A^2)296
Heavy Atom Count67
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)9200
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1851596
Predicted Log 10(IC50) values2.9301961
2D Structure


Record No:593


DB_ACCESS_NUMBERPPIM0593
CID46227500
CHEMBL_IDCHEMBL593696
NSC_ID
PDB_CODE
Molecular Weight (g/mol)2133.8
XLogP3-AA2.2
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count20
Rotatable Bond Count66
Complexity3310
Topological Polar Surface Area (A^2)592
Heavy Atom Count134
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)6400
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values2.9258496
2D Structure


Record No:594


DB_ACCESS_NUMBERPPIM0594
CID44472953
CHEMBL_IDCHEMBL593807
NSC_ID
PDB_CODE
Molecular Weight (g/mol)990.05
XLogP3-AA0.6
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count33
Complexity1470
Topological Polar Surface Area (A^2)296
Heavy Atom Count66
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)18000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0003031
Predicted Log 10(IC50) values2.9295098
2D Structure


Record No:595


DB_ACCESS_NUMBERPPIM0595
CID44472954
CHEMBL_IDCHEMBL593825
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1004.0
XLogP3-AA0.9
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count34
Complexity1480
Topological Polar Surface Area (A^2)296
Heavy Atom Count67
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)20000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.97978242
Predicted Log 10(IC50) values2.9308775
2D Structure


Record No:596


DB_ACCESS_NUMBERPPIM0596
CID44472962
CHEMBL_IDCHEMBL593841
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1102.9
XLogP3-AA1.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count33
Complexity1580
Topological Polar Surface Area (A^2)296
Heavy Atom Count70
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)13000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0865277
Predicted Log 10(IC50) values2.9570288
2D Structure


Record No:597


DB_ACCESS_NUMBERPPIM0597
CID44472949
CHEMBL_IDCHEMBL593845
NSC_ID
PDB_CODE
Molecular Weight (g/mol)917.54
XLogP3-AA-0.2
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count31
Complexity1430
Topological Polar Surface Area (A^2)296
Heavy Atom Count64
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0002425
Predicted Log 10(IC50) values2.9240879
2D Structure


Record No:598


DB_ACCESS_NUMBERPPIM0598
CID44472951
CHEMBL_IDCHEMBL593921
NSC_ID
PDB_CODE
Molecular Weight (g/mol)966.01
XLogP3-AA0.8
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count32
Complexity1480
Topological Polar Surface Area (A^2)296
Heavy Atom Count66
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)63000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.94176399
Predicted Log 10(IC50) values2.9327167
2D Structure


Record No:599


DB_ACCESS_NUMBERPPIM0599
CID44472958
CHEMBL_IDCHEMBL593925
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1004.0
XLogP3-AA0.9
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count33
Complexity1500
Topological Polar Surface Area (A^2)296
Heavy Atom Count67
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)24000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.92920969
Predicted Log 10(IC50) values2.9376837
2D Structure


Record No:600


DB_ACCESS_NUMBERPPIM0600
CID44472961
CHEMBL_IDCHEMBL593926
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1082.9
XLogP3-AA1.8
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count34
Complexity1520
Topological Polar Surface Area (A^2)296
Heavy Atom Count68
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)13000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2253546
Predicted Log 10(IC50) values2.9329801
2D Structure


Record No:601


DB_ACCESS_NUMBERPPIM0601
CID44472965
CHEMBL_IDCHEMBL593927
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1181.8
XLogP3-AA2.2
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count33
Complexity1620
Topological Polar Surface Area (A^2)296
Heavy Atom Count71
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)7500
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-0.052858946
Predicted Log 10(IC50) values2.9319976
2D Structure


Record No:602


DB_ACCESS_NUMBERPPIM0602
CID46227509
CHEMBL_IDCHEMBL594147
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1888.3
XLogP3-AA2.7
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count21
Rotatable Bond Count54
Complexity3560
Topological Polar Surface Area (A^2)540
Heavy Atom Count135
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2900
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values2.9254789
2D Structure


Record No:603


DB_ACCESS_NUMBERPPIM0603
CID46227513
CHEMBL_IDCHEMBL594148
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1084.3
XLogP3-AA7.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count39
Complexity1510
Topological Polar Surface Area (A^2)183
Heavy Atom Count73
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score0.99968984
Predicted Log 10(IC50) values2.9272898
2D Structure


Record No:604


DB_ACCESS_NUMBERPPIM0604
CID46227502
CHEMBL_IDCHEMBL595964
NSC_ID
PDB_CODE
Molecular Weight (g/mol)2156.9
XLogP3-AA4.1
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count20
Rotatable Bond Count54
Complexity3430
Topological Polar Surface Area (A^2)543
Heavy Atom Count136
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)10000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values2.9258496
2D Structure


Record No:605


DB_ACCESS_NUMBERPPIM0605
CID46227504
CHEMBL_IDCHEMBL606700
NSC_ID
PDB_CODE
Molecular Weight (g/mol)2172.9
XLogP3-AA1.2
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count21
Rotatable Bond Count67
Complexity3600
Topological Polar Surface Area (A^2)552
Heavy Atom Count137
Defined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)8200
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values2.9258496
2D Structure


Record No:606


DB_ACCESS_NUMBERPPIM0606
CID46227503
CHEMBL_IDCHEMBL610175
NSC_ID
PDB_CODE
Molecular Weight (g/mol)2213.0
XLogP3-AA5.8
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count20
Rotatable Bond Count54
Complexity3520
Topological Polar Surface Area (A^2)543
Heavy Atom Count140
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)6600
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values2.9258496
2D Structure


Record No:607


DB_ACCESS_NUMBERPPIM0607
CID46227506
CHEMBL_IDCHEMBL610176
NSC_ID
PDB_CODE
Molecular Weight (g/mol)2168.9
XLogP3-AA7
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count19
Rotatable Bond Count55
Complexity3400
Topological Polar Surface Area (A^2)502
Heavy Atom Count137
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2800
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values2.9258496
2D Structure


Record No:608


DB_ACCESS_NUMBERPPIM0608
CID46227508
CHEMBL_IDCHEMBL610177
NSC_ID
PDB_CODE
Molecular Weight (g/mol)2028.1
XLogP3-AA4
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count20
Rotatable Bond Count54
Complexity3600
Topological Polar Surface Area (A^2)540
Heavy Atom Count136
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2300
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values2.9257892
2D Structure


Record No:609


DB_ACCESS_NUMBERPPIM0609
CID46227510
CHEMBL_IDCHEMBL610458
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1826.3
XLogP3-AA1.6
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count21
Rotatable Bond Count53
Complexity3420
Topological Polar Surface Area (A^2)540
Heavy Atom Count130
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)13000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values2.9258493
2D Structure


Record No:610


DB_ACCESS_NUMBERPPIM0610
CID46227511
CHEMBL_IDCHEMBL610459
NSC_ID
PDB_CODE
Molecular Weight (g/mol)2000.2
XLogP3-AA7.2
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count17
Rotatable Bond Count54
Complexity3420
Topological Polar Surface Area (A^2)465
Heavy Atom Count134
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)5900
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values2.9258496
2D Structure


Record No:611


DB_ACCESS_NUMBERPPIM0611
CID46227512
CHEMBL_IDCHEMBL610460
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1840.0
XLogP3-AA8.3
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count14
Rotatable Bond Count34
Complexity3090
Topological Polar Surface Area (A^2)431
Heavy Atom Count123
Defined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values2.9258496
2D Structure


Record No:612


DB_ACCESS_NUMBERPPIM0612
CID44472950
CHEMBL_IDCHEMBL611023
NSC_ID
PDB_CODE
Molecular Weight (g/mol)931.57
XLogP3-AA0.1
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count32
Complexity1450
Topological Polar Surface Area (A^2)296
Heavy Atom Count65
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)85000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.2066535
Predicted Log 10(IC50) values2.9270076
2D Structure


Record No:613


DB_ACCESS_NUMBERPPIM0613
CID44472952
CHEMBL_IDCHEMBL611330
NSC_ID
PDB_CODE
Molecular Weight (g/mol)945.60
XLogP3-AA0.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count33
Complexity1470
Topological Polar Surface Area (A^2)296
Heavy Atom Count66
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)43000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0811151
Predicted Log 10(IC50) values2.9304596
2D Structure


Record No:614


DB_ACCESS_NUMBERPPIM0614
CID44472955
CHEMBL_IDCHEMBL611331
NSC_ID
PDB_CODE
Molecular Weight (g/mol)990.05
XLogP3-AA0.6
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count33
Complexity1470
Topological Polar Surface Area (A^2)296
Heavy Atom Count66
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)38000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0003031
Predicted Log 10(IC50) values2.9295098
2D Structure


Record No:615


DB_ACCESS_NUMBERPPIM0615
CID44472956
CHEMBL_IDCHEMBL611332
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1035.0
XLogP3-AA0.4
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count33
Complexity1590
Topological Polar Surface Area (A^2)342
Heavy Atom Count69
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)17000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0004182
Predicted Log 10(IC50) values3.0540701
2D Structure


Record No:616


DB_ACCESS_NUMBERPPIM0616
CID44472959
CHEMBL_IDCHEMBL611333
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1035.0
XLogP3-AA0.4
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count33
Complexity1590
Topological Polar Surface Area (A^2)342
Heavy Atom Count69
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)41000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0004182
Predicted Log 10(IC50) values3.0540701
2D Structure


Record No:617


DB_ACCESS_NUMBERPPIM0617
CID44472960
CHEMBL_IDCHEMBL611334
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1020.0
XLogP3-AA0.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count34
Complexity1520
Topological Polar Surface Area (A^2)305
Heavy Atom Count68
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.1170212
Predicted Log 10(IC50) values2.9468129
2D Structure


Record No:618


DB_ACCESS_NUMBERPPIM0618
CID44472963
CHEMBL_IDCHEMBL611623
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1132.9
XLogP3-AA1.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count34
Complexity1630
Topological Polar Surface Area (A^2)305
Heavy Atom Count72
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)12000
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0000468
Predicted Log 10(IC50) values2.9689249
2D Structure


Record No:619


DB_ACCESS_NUMBERPPIM0619
CID44472964
CHEMBL_IDCHEMBL611624
NSC_ID
PDB_CODE
Molecular Weight (g/mol)1147.9
XLogP3-AA1.3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count33
Complexity1710
Topological Polar Surface Area (A^2)342
Heavy Atom Count73
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)8100
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score1.0000041
Predicted Log 10(IC50) values3.0040711
2D Structure


Record No:620


DB_ACCESS_NUMBERPPIM0620
CID46227501
CHEMBL_IDCHEMBL611625
NSC_ID
PDB_CODE
Molecular Weight (g/mol)2150.9
XLogP3-AA5.9
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count19
Rotatable Bond Count67
Complexity3510
Topological Polar Surface Area (A^2)511
Heavy Atom Count136
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)7600
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values2.9258496
2D Structure


Record No:621


DB_ACCESS_NUMBERPPIM0621
CID46227507
CHEMBL_IDCHEMBL611814
NSC_ID
PDB_CODE
Molecular Weight (g/mol)2032.1
XLogP3-AA3.7
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count21
Rotatable Bond Count54
Complexity3610
Topological Polar Surface Area (A^2)540
Heavy Atom Count136
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)2600
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationNo
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID
Protein-Protein Interaction Modulator SVM score-2.0852552
Predicted Log 10(IC50) values2.9257695
2D Structure


Record No:622


DB_ACCESS_NUMBERPPIM0622
CID3117
CHEMBL_IDCHEMBL964
NSC_IDNSC25953
PDB_CODE
Molecular Weight (g/mol)296.52
XLogP3-AA3.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Complexity201
Topological Polar Surface Area (A^2)121
Heavy Atom Count16
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Experimentally verified IC50 values (nM)100
Target Protein-protein Interaction complexMdm2/P53
Clinical ApplicationYes ( as A drug in Clinical Trials FDA UNII)
Off TargetsNA
Protein-Protein Interaction TypeOrthosteric
Protein-Protein Interaction Modulator TypeExperimentally Verified or reviewed
PUBMED_ID16604538, 20035
Protein-Protein Interaction Modulator SVM score1.8582258
Predicted Log 10(IC50) values3.8569315
2D Structure



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For queries please contact Dr. Sudipto Saha (ssaha4@jcbose.ac.in, ssaha4@gmail.com)

Last updated on 19th January, 2018

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