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Record No:1
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| DB_ACCESS_NUMBER | PPIM0623 | | CID | 100815 | | CHEMBL_ID | | | NSC_ID | NSC375576 | | PDB_CODE | | | Molecular Weight (g/mol) | 376.28 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 4 | | Complexity | 511 | | Topological Polar Surface Area (A^2) | 35.9 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9005658 | | Predicted Log 10(IC50) values | 3.2070008 | | 2D Structure |  |
Record No:2
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| DB_ACCESS_NUMBER | PPIM0624 | | CID | 1098360 | | CHEMBL_ID | | | NSC_ID | NSC736582 | | PDB_CODE | | | Molecular Weight (g/mol) | 370.25 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 3 | | Complexity | 510 | | Topological Polar Surface Area (A^2) | 35.9 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No(toxic) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0491531 | | Predicted Log 10(IC50) values | 3.2992123 | | 2D Structure |  |
Record No:3
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| DB_ACCESS_NUMBER | PPIM0625 | | CID | 1179892 | | CHEMBL_ID | | | NSC_ID | NSC732693 | | PDB_CODE | | | Molecular Weight (g/mol) | 381.63 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 4 | | Complexity | 552 | | Topological Polar Surface Area (A^2) | 49.4 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0194153 | | Predicted Log 10(IC50) values | 3.2988212 | | 2D Structure |  |
Record No:4
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| DB_ACCESS_NUMBER | PPIM0626 | | CID | 12030674 | | CHEMBL_ID | | | NSC_ID | NSC743553 | | PDB_CODE | | | Molecular Weight (g/mol) | 376.75 | | XLogP3-AA | 1.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 6 | | Complexity | 530 | | Topological Polar Surface Area (A^2) | 52.6 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1390982 | | Predicted Log 10(IC50) values | 3.0396428 | | 2D Structure |  |
Record No:5
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| DB_ACCESS_NUMBER | PPIM0627 | | CID | 12319944 | | CHEMBL_ID | | | NSC_ID | NSC312891 | | PDB_CODE | | | Molecular Weight (g/mol) | 328.32 | | XLogP3-AA | 0.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 6 | | Complexity | 783 | | Topological Polar Surface Area (A^2) | 129 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 2 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.941721 | | Predicted Log 10(IC50) values | 4.3429373 | | 2D Structure |  |
Record No:6
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| DB_ACCESS_NUMBER | PPIM0628 | | CID | 136630 | | CHEMBL_ID | | | NSC_ID | NSC122708 | | PDB_CODE | | | Molecular Weight (g/mol) | 412.12 | | XLogP3-AA | 5.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 0 | | Complexity | 354 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3103057 | | Predicted Log 10(IC50) values | 3.5849936 | | 2D Structure |  |
Record No:7
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| DB_ACCESS_NUMBER | PPIM0629 | | CID | 1379641 | | CHEMBL_ID | | | NSC_ID | NSC733922 | | PDB_CODE | | | Molecular Weight (g/mol) | 379.20 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 521 | | Topological Polar Surface Area (A^2) | 47.3 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9441291 | | Predicted Log 10(IC50) values | 2.8827164 | | 2D Structure |  |
Record No:8
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| DB_ACCESS_NUMBER | PPIM0630 | | CID | 138726 | | CHEMBL_ID | | | NSC_ID | NSC50385 | | PDB_CODE | | | Molecular Weight (g/mol) | 300.54 | | XLogP3-AA | 5.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 0 | | Complexity | 190 | | Topological Polar Surface Area (A^2) | 152 | | Heavy Atom Count | 14 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9706315 | | Predicted Log 10(IC50) values | 3.4567448 | | 2D Structure |  |
Record No:9
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| DB_ACCESS_NUMBER | PPIM0631 | | CID | 1574964 | | CHEMBL_ID | | | NSC_ID | NSC727970 | | PDB_CODE | | | Molecular Weight (g/mol) | 381.63 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 4 | | Complexity | 544 | | Topological Polar Surface Area (A^2) | 49.4 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0292969 | | Predicted Log 10(IC50) values | 3.1514422 | | 2D Structure |  |
Record No:10
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| DB_ACCESS_NUMBER | PPIM0632 | | CID | 1576365 | | CHEMBL_ID | | | NSC_ID | NSC380512 | | PDB_CODE | | | Molecular Weight (g/mol) | 412.26 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 669 | | Topological Polar Surface Area (A^2) | 80.5 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9818831 | | Predicted Log 10(IC50) values | 5.286265 | | 2D Structure |  |
Record No:11
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| DB_ACCESS_NUMBER | PPIM0633 | | CID | 17357 | | CHEMBL_ID | CHEMBL1332823 | | NSC_ID | NSC41891 | | PDB_CODE | | | Molecular Weight (g/mol) | 397.74 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 2 | | Complexity | 357 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 17 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.419374 | | Predicted Log 10(IC50) values | 3.7212985 | | 2D Structure |  |
Record No:12
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| DB_ACCESS_NUMBER | PPIM0634 | | CID | 17438 | | CHEMBL_ID | CHEMBL3185823 | | NSC_ID | NSC22222 | | PDB_CODE | | | Molecular Weight (g/mol) | 369.82 | | XLogP3-AA | 1.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 501 | | Topological Polar Surface Area (A^2) | 46.2 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | WRN, vpr, VMA11, vif, VDR, UHRF1, UCHL5, USP1 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4067324 | | Predicted Log 10(IC50) values | 2.9372726 | | 2D Structure |  |
Record No:13
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| DB_ACCESS_NUMBER | PPIM0635 | | CID | 17755023 | | CHEMBL_ID | CHEMBL241979 | | NSC_ID | NSC736202 | | PDB_CODE | | | Molecular Weight (g/mol) | 501.24 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 4 | | Complexity | 818 | | Topological Polar Surface Area (A^2) | 97.6 | | Heavy Atom Count | 29 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1355306 | | Predicted Log 10(IC50) values | 2.9770873 | | 2D Structure |  |
Record No:14
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| DB_ACCESS_NUMBER | PPIM0636 | | CID | 17755849 | | CHEMBL_ID | CHEMBL438107 | | NSC_ID | NSC736198 | | PDB_CODE | | | Molecular Weight (g/mol) | 447.66 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 706 | | Topological Polar Surface Area (A^2) | 83.2 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9003025 | | Predicted Log 10(IC50) values | 4.8558186 | | 2D Structure |  |
Record No:15
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| DB_ACCESS_NUMBER | PPIM0637 | | CID | 17756600 | | CHEMBL_ID | CHEMBL244344 | | NSC_ID | NSC734294 | | PDB_CODE | | | Molecular Weight (g/mol) | 447.66 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 706 | | Topological Polar Surface Area (A^2) | 83.2 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9110562 | | Predicted Log 10(IC50) values | 4.8591928 | | 2D Structure |  |
Record No:16
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| DB_ACCESS_NUMBER | PPIM0638 | | CID | 18315 | | CHEMBL_ID | | | NSC_ID | NSC220090 | | PDB_CODE | | | Molecular Weight (g/mol) | 326.54 | | XLogP3-AA | 5.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 13 | | Complexity | 210 | | Topological Polar Surface Area (A^2) | 133 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.8401107 | | Predicted Log 10(IC50) values | 3.4126971 | | 2D Structure |  |
Record No:17
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| DB_ACCESS_NUMBER | PPIM0639 | | CID | 18363 | | CHEMBL_ID | | | NSC_ID | NSC56517 | | PDB_CODE | | | Molecular Weight (g/mol) | 398.91 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 506 | | Topological Polar Surface Area (A^2) | 40.5 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | 6298445 | | Protein-Protein Interaction Modulator SVM score | 2.2485778 | | Predicted Log 10(IC50) values | 2.920095 | | 2D Structure |  |
Record No:18
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| DB_ACCESS_NUMBER | PPIM0640 | | CID | 19656597 | | CHEMBL_ID | CHEMBL2235176 | | NSC_ID | NSC735020 | | PDB_CODE | | | Molecular Weight (g/mol) | 354.20 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 578 | | Topological Polar Surface Area (A^2) | 57.8 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9011741 | | Predicted Log 10(IC50) values | 4.8088918 | | 2D Structure |  |
Record No:19
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| DB_ACCESS_NUMBER | PPIM0641 | | CID | 213803 | | CHEMBL_ID | CHEMBL1997532 | | NSC_ID | NSC329086 | | PDB_CODE | | | Molecular Weight (g/mol) | 348.35 | | XLogP3-AA | -0.3 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 5 | | Complexity | 773 | | Topological Polar Surface Area (A^2) | 133 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9427743 | | Predicted Log 10(IC50) values | 4.3322307 | | 2D Structure |  |
Record No:20
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| DB_ACCESS_NUMBER | PPIM0642 | | CID | 219445 | | CHEMBL_ID | | | NSC_ID | NSC790 | | PDB_CODE | | | Molecular Weight (g/mol) | 564.91 | | XLogP3-AA | 11.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 5 | | Complexity | 622 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 30 | | Defined Atom Stereocenter Count | 10 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0302243 | | Predicted Log 10(IC50) values | 2.6925797 | | 2D Structure |  |
Record No:21
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| DB_ACCESS_NUMBER | PPIM0643 | | CID | 220695 | | CHEMBL_ID | | | NSC_ID | NSC3760 | | PDB_CODE | | | Molecular Weight (g/mol) | 368.63 | | XLogP3-AA | 3.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 12 | | Complexity | 267 | | Topological Polar Surface Area (A^2) | 131 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3119589 | | Predicted Log 10(IC50) values | 3.0776116 | | 2D Structure |  |
Record No:22
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| DB_ACCESS_NUMBER | PPIM0644 | | CID | 222104 | | CHEMBL_ID | | | NSC_ID | NSC7418 | | PDB_CODE | | | Molecular Weight (g/mol) | 269.44 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 1 | | Rotatable Bond Count | 2 | | Complexity | 503 | | Topological Polar Surface Area (A^2) | 29.1 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | -5.8708262 | | Predicted Log 10(IC50) values | 2.3407904 | | 2D Structure |  |
Record No:23
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| DB_ACCESS_NUMBER | PPIM0645 | | CID | 224165 | | CHEMBL_ID | CHEMBL1727794 | | NSC_ID | NSC12447 | | PDB_CODE | | | Molecular Weight (g/mol) | 428.89 | | XLogP3-AA | 3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 5 | | Complexity | 602 | | Topological Polar Surface Area (A^2) | 63.6 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | WRN, vpr, VMA11, vif, VDR, UHRF1, UCHL5, USP1 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9146128 | | Predicted Log 10(IC50) values | 3.4214446 | | 2D Structure |  |
Record No:24
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| DB_ACCESS_NUMBER | PPIM0646 | | CID | 225654 | | CHEMBL_ID | | | NSC_ID | NSC15264 | | PDB_CODE | | | Molecular Weight (g/mol) | 314.50 | | XLogP3-AA | 5.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 8 | | Complexity | 249 | | Topological Polar Surface Area (A^2) | 165 | | Heavy Atom Count | 16 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2909158 | | Predicted Log 10(IC50) values | 3.2711627 | | 2D Structure |  |
Record No:25
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| DB_ACCESS_NUMBER | PPIM0647 | | CID | 225749 | | CHEMBL_ID | | | NSC_ID | NSC15461 | | PDB_CODE | | | Molecular Weight (g/mol) | 470.34 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 728 | | Topological Polar Surface Area (A^2) | 71.4 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 6 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5338761 | | Predicted Log 10(IC50) values | 3.8831085 | | 2D Structure |  |
Record No:26
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| DB_ACCESS_NUMBER | PPIM0648 | | CID | 226022 | | CHEMBL_ID | | | NSC_ID | NSC16016 | | PDB_CODE | | | Molecular Weight (g/mol) | 470.34 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 728 | | Topological Polar Surface Area (A^2) | 74.6 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 7 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5171879 | | Predicted Log 10(IC50) values | 3.7962237 | | 2D Structure |  |
Record No:27
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| DB_ACCESS_NUMBER | PPIM0649 | | CID | 227135 | | CHEMBL_ID | | | NSC_ID | NSC18421 | | PDB_CODE | | | Molecular Weight (g/mol) | 268.47 | | XLogP3-AA | 2.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 3 | | Complexity | 139 | | Topological Polar Surface Area (A^2) | 108 | | Heavy Atom Count | 14 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | 11092540 | | Protein-Protein Interaction Modulator SVM score | 2.1482231 | | Predicted Log 10(IC50) values | 3.3030173 | | 2D Structure |  |
Record No:28
|
| DB_ACCESS_NUMBER | PPIM0650 | | CID | 227722 | | CHEMBL_ID | | | NSC_ID | NSC19692 | | PDB_CODE | | | Molecular Weight (g/mol) | 332.52 | | XLogP3-AA | 3.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 10 | | Complexity | 226 | | Topological Polar Surface Area (A^2) | 165 | | Heavy Atom Count | 17 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.1132118 | | Predicted Log 10(IC50) values | 3.1894829 | | 2D Structure |  |
Record No:29
|
| DB_ACCESS_NUMBER | PPIM0651 | | CID | 227727 | | CHEMBL_ID | | | NSC_ID | NSC19701 | | PDB_CODE | | | Molecular Weight (g/mol) | 328.52 | | XLogP3-AA | 3.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 11 | | Complexity | 236 | | Topological Polar Surface Area (A^2) | 140 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.1941048 | | Predicted Log 10(IC50) values | 3.3468858 | | 2D Structure |  |
Record No:30
|
| DB_ACCESS_NUMBER | PPIM0652 | | CID | 228456 | | CHEMBL_ID | | | NSC_ID | NSC21397 | | PDB_CODE | | | Molecular Weight (g/mol) | 312.45 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 9 | | Complexity | 244 | | Topological Polar Surface Area (A^2) | 160 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3950882 | | Predicted Log 10(IC50) values | 3.3412529 | | 2D Structure |  |
Record No:31
|
| DB_ACCESS_NUMBER | PPIM0653 | | CID | 228492 | | CHEMBL_ID | | | NSC_ID | NSC21451 | | PDB_CODE | | | Molecular Weight (g/mol) | 397.39 | | XLogP3-AA | 5.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 520 | | Topological Polar Surface Area (A^2) | 37.3 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 8 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2396643 | | Predicted Log 10(IC50) values | 3.1102046 | | 2D Structure |  |
Record No:32
|
| DB_ACCESS_NUMBER | PPIM0654 | | CID | 228502 | | CHEMBL_ID | | | NSC_ID | NSC21461 | | PDB_CODE | | | Molecular Weight (g/mol) | 469.41 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 4 | | Complexity | 737 | | Topological Polar Surface Area (A^2) | 80.7 | | Heavy Atom Count | 29 | | Defined Atom Stereocenter Count | 8 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9417572 | | Predicted Log 10(IC50) values | 3.6695844 | | 2D Structure |  |
Record No:33
|
| DB_ACCESS_NUMBER | PPIM0655 | | CID | 228947 | | CHEMBL_ID | CHEMBL1704627 | | NSC_ID | NSC22205Â Â Â | | PDB_CODE | | | Molecular Weight (g/mol) | 380.85 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 546 | | Topological Polar Surface Area (A^2) | 34.1 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 14800 | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | WRN, vpr, VMA11, vif, VDR, UHRF1, UCHL5, USP1 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.6575732 | | Predicted Log 10(IC50) values | 3.5856449 | | 2D Structure |  |
Record No:34
|
| DB_ACCESS_NUMBER | PPIM0656 | | CID | 228956 | | CHEMBL_ID | | | NSC_ID | NSC22221 | | PDB_CODE | | | Molecular Weight (g/mol) | 480.36 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 671 | | Topological Polar Surface Area (A^2) | 37.4 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1230854 | | Predicted Log 10(IC50) values | 3.0018984 | | 2D Structure |  |
Record No:35
|
| DB_ACCESS_NUMBER | PPIM0657 | | CID | 228958 | | CHEMBL_ID | | | NSC_ID | NSC22224 | | PDB_CODE | | | Molecular Weight (g/mol) | 524.99 | | XLogP3-AA | 2.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 2 | | Complexity | 879 | | Topological Polar Surface Area (A^2) | 106 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4530623 | | Predicted Log 10(IC50) values | 1.7863149 | | 2D Structure |  |
Record No:36
|
| DB_ACCESS_NUMBER | PPIM0658 | | CID | 228959 | | CHEMBL_ID | | | NSC_ID | NSC22232 | | PDB_CODE | | | Molecular Weight (g/mol) | 461.92 | | XLogP3-AA | 3.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 672 | | Topological Polar Surface Area (A^2) | 57.6 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2448088 | | Predicted Log 10(IC50) values | 3.8879561 | | 2D Structure |  |
Record No:37
|
| DB_ACCESS_NUMBER | PPIM0659 | | CID | 229453 | | CHEMBL_ID | | | NSC_ID | NSC23159 | | PDB_CODE | | | Molecular Weight (g/mol) | 546.38 | | XLogP3-AA | 6.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 5 | | Complexity | 715 | | Topological Polar Surface Area (A^2) | 35.5 | | Heavy Atom Count | 30 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | KCNH2 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4985236 | | Predicted Log 10(IC50) values | 2.3870827 | | 2D Structure |  |
Record No:38
|
| DB_ACCESS_NUMBER | PPIM0660 | | CID | 230037 | | CHEMBL_ID | | | NSC_ID | NSC24305 | | PDB_CODE | | | Molecular Weight (g/mol) | 414.86 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 4 | | Complexity | 574 | | Topological Polar Surface Area (A^2) | 52.6 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1363488 | | Predicted Log 10(IC50) values | 3.1092834 | | 2D Structure |  |
Record No:39
|
| DB_ACCESS_NUMBER | PPIM0661 | | CID | 231637 | | CHEMBL_ID | | | NSC_ID | NSC28094 | | PDB_CODE | | | Molecular Weight (g/mol) | 562.75 | | XLogP3-AA | 12 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 8 | | Complexity | 711 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 44 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.6645102 | | Predicted Log 10(IC50) values | 2.9979989 | | 2D Structure |  |
Record No:40
|
| DB_ACCESS_NUMBER | PPIM0662 | | CID | 231673 | | CHEMBL_ID | | | NSC_ID | NSC28284 | | PDB_CODE | | | Molecular Weight (g/mol) | 551.15 | | XLogP3-AA | 6.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 672 | | Topological Polar Surface Area (A^2) | 34.1 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 7 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5977788 | | Predicted Log 10(IC50) values | 0.60879611 | | 2D Structure |  |
Record No:41
|
| DB_ACCESS_NUMBER | PPIM0663 | | CID | 232399 | | CHEMBL_ID | | | NSC_ID | NSC29743 | | PDB_CODE | | | Molecular Weight (g/mol) | 481.27 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 732 | | Topological Polar Surface Area (A^2) | 34.1 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 6 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4084765 | | Predicted Log 10(IC50) values | 3.2482159 | | 2D Structure |  |
Record No:42
|
| DB_ACCESS_NUMBER | PPIM0664 | | CID | 232401 | | CHEMBL_ID | | | NSC_ID | NSC29745 | | PDB_CODE | | | Molecular Weight (g/mol) | 572.29 | | XLogP3-AA | 3.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 4 | | Complexity | 979 | | Topological Polar Surface Area (A^2) | 97.7 | | Heavy Atom Count | 32 | | Defined Atom Stereocenter Count | 6 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2693748 | | Predicted Log 10(IC50) values | 1.6163892 | | 2D Structure |  |
Record No:43
|
| DB_ACCESS_NUMBER | PPIM0665 | | CID | 232405 | | CHEMBL_ID | | | NSC_ID | NSC29749 | | PDB_CODE | | | Molecular Weight (g/mol) | 500.27 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 751 | | Topological Polar Surface Area (A^2) | 43.4 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 6 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3397002 | | Predicted Log 10(IC50) values | 3.3343898 | | 2D Structure |  |
Record No:44
|
| DB_ACCESS_NUMBER | PPIM0666 | | CID | 232762 | | CHEMBL_ID | | | NSC_ID | NSC30661 | | PDB_CODE | | | Molecular Weight (g/mol) | 409.73 | | XLogP3-AA | 9.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 3 | | Complexity | 364 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1557263 | | Predicted Log 10(IC50) values | 3.6285996 | | 2D Structure |  |
Record No:45
|
| DB_ACCESS_NUMBER | PPIM0667 | | CID | 233919 | | CHEMBL_ID | | | NSC_ID | NSC33066 | | PDB_CODE | | | Molecular Weight (g/mol) | 342.52 | | XLogP3-AA | 4.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 6 | | Complexity | 255 | | Topological Polar Surface Area (A^2) | 161 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.2709719 | | Predicted Log 10(IC50) values | 3.0969309 | | 2D Structure |  |
Record No:46
|
| DB_ACCESS_NUMBER | PPIM0668 | | CID | 233941 | | CHEMBL_ID | | | NSC_ID | NSC33094 | | PDB_CODE | | | Molecular Weight (g/mol) | 296.4 | | XLogP3-AA | 1.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 11 | | Complexity | 218 | | Topological Polar Surface Area (A^2) | 127 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1730898 | | Predicted Log 10(IC50) values | 3.8884892 | | 2D Structure |  |
Record No:47
|
| DB_ACCESS_NUMBER | PPIM0669 | | CID | 236199 | | CHEMBL_ID | | | NSC_ID | NSC38322 | | PDB_CODE | | | Molecular Weight (g/mol) | 416.88 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 4 | | Complexity | 575 | | Topological Polar Surface Area (A^2) | 63.6 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9375097 | | Predicted Log 10(IC50) values | 2.9847017 | | 2D Structure |  |
Record No:48
|
| DB_ACCESS_NUMBER | PPIM0670 | | CID | 236488 | | CHEMBL_ID | | | NSC_ID | NSC39032 | | PDB_CODE | | | Molecular Weight (g/mol) | 442.74 | | XLogP3-AA | 8.4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 0 | | Complexity | 375 | | Topological Polar Surface Area (A^2) | 15.8 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0386249 | | Predicted Log 10(IC50) values | 3.6185761 | | 2D Structure |  |
Record No:49
|
| DB_ACCESS_NUMBER | PPIM0671 | | CID | 237514 | | CHEMBL_ID | | | NSC_ID | NSC41135 | | PDB_CODE | | | Molecular Weight (g/mol) | 340.26 | | XLogP3-AA | 0.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 11 | | Complexity | 221 | | Topological Polar Surface Area (A^2) | 123 | | Heavy Atom Count | 17 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1892344 | | Predicted Log 10(IC50) values | 3.3282186 | | 2D Structure |  |
Record No:50
|
| DB_ACCESS_NUMBER | PPIM0672 | | CID | 240028 | | CHEMBL_ID | | | NSC_ID | NSC45883 | | PDB_CODE | | | Molecular Weight (g/mol) | 458.38 | | XLogP3-AA | 3.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 631 | | Topological Polar Surface Area (A^2) | 57.5 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 8 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0242751 | | Predicted Log 10(IC50) values | 3.1859487 | | 2D Structure |  |
Record No:51
|
| DB_ACCESS_NUMBER | PPIM0673 | | CID | 241805 | | CHEMBL_ID | | | NSC_ID | NSC49675 | | PDB_CODE | | | Molecular Weight (g/mol) | 390.23 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 554 | | Topological Polar Surface Area (A^2) | 37.4 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0702757 | | Predicted Log 10(IC50) values | 3.2637547 | | 2D Structure |  |
Record No:52
|
| DB_ACCESS_NUMBER | PPIM0674 | | CID | 24202650 | | CHEMBL_ID | | | NSC_ID | NSC725618 | | PDB_CODE | | | Molecular Weight (g/mol) | 702.82 | | XLogP3-AA | 0.6 | | Hydrogen Bond Donor Count | 8 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 18 | | Complexity | 1130 | | Topological Polar Surface Area (A^2) | 241 | | Heavy Atom Count | 50 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.2386135 | | Predicted Log 10(IC50) values | 2.8244005 | | 2D Structure |  |
Record No:53
|
| DB_ACCESS_NUMBER | PPIM0675 | | CID | 24203025 | | CHEMBL_ID | CHEMBL1774862 | | NSC_ID | NSC726542 | | PDB_CODE | | | Molecular Weight (g/mol) | 369.12 | | XLogP3-AA | 3.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 2 | | Complexity | 565 | | Topological Polar Surface Area (A^2) | 63.4 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9272485 | | Predicted Log 10(IC50) values | 3.9892025 | | 2D Structure |  |
Record No:54
|
| DB_ACCESS_NUMBER | PPIM0676 | | CID | 24203212 | | CHEMBL_ID | | | NSC_ID | NSC727205 | | PDB_CODE | | | Molecular Weight (g/mol) | 383.14 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 2 | | Complexity | 601 | | Topological Polar Surface Area (A^2) | 63.4 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0360386 | | Predicted Log 10(IC50) values | 4.3411495 | | 2D Structure |  |
Record No:55
|
| DB_ACCESS_NUMBER | PPIM0677 | | CID | 24205043 | | CHEMBL_ID | | | NSC_ID | NSC734075 | | PDB_CODE | | | Molecular Weight (g/mol) | 558.26 | | XLogP3-AA | 7.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 4 | | Complexity | 757 | | Topological Polar Surface Area (A^2) | 26.3 | | Heavy Atom Count | 33 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2771354 | | Predicted Log 10(IC50) values | 4.3517317 | | 2D Structure |  |
Record No:56
|
| DB_ACCESS_NUMBER | PPIM0678 | | CID | 24205563 | | CHEMBL_ID | | | NSC_ID | NSC736166 | | PDB_CODE | | | Molecular Weight (g/mol) | 698.42 | | XLogP3-AA | 8.2 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 10 | | Complexity | 994 | | Topological Polar Surface Area (A^2) | 98.8 | | Heavy Atom Count | 46 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9437287 | | Predicted Log 10(IC50) values | 2.6261349 | | 2D Structure |  |
Record No:57
|
| DB_ACCESS_NUMBER | PPIM0679 | | CID | 24205853 | | CHEMBL_ID | | | NSC_ID | NSC737019 | | PDB_CODE | | | Molecular Weight (g/mol) | 516.27 | | XLogP3-AA | 6.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 3 | | Complexity | 660 | | Topological Polar Surface Area (A^2) | 32.7 | | Heavy Atom Count | 29 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9548285 | | Predicted Log 10(IC50) values | 1.1181114 | | 2D Structure |  |
Record No:58
|
| DB_ACCESS_NUMBER | PPIM0680 | | CID | 245225 | | CHEMBL_ID | | | NSC_ID | NSC56940 | | PDB_CODE | | | Molecular Weight (g/mol) | 514.29 | | XLogP3-AA | 5.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 3 | | Complexity | 766 | | Topological Polar Surface Area (A^2) | 43.4 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 6 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0493353 | | Predicted Log 10(IC50) values | 3.6633906 | | 2D Structure |  |
Record No:59
|
| DB_ACCESS_NUMBER | PPIM0681 | | CID | 246183 | | CHEMBL_ID | | | NSC_ID | NSC58822 | | PDB_CODE | | | Molecular Weight (g/mol) | 363.31 | | XLogP3-AA | 0.8 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 12 | | Complexity | 260 | | Topological Polar Surface Area (A^2) | 129 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2838697 | | Predicted Log 10(IC50) values | 3.1050607 | | 2D Structure |  |
Record No:60
|
| DB_ACCESS_NUMBER | PPIM0682 | | CID | 247305 | | CHEMBL_ID | | | NSC_ID | NSC61712 | | PDB_CODE | | | Molecular Weight (g/mol) | 356583 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 500 | | Topological Polar Surface Area (A^2) | 42.5 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 9 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | -2.0852552 | | Predicted Log 10(IC50) values | 2.9258496 | | 2D Structure |  |
Record No:61
|
| DB_ACCESS_NUMBER | PPIM0683 | | CID | 24779697 | | CHEMBL_ID | CHEMBL392129 | | NSC_ID | NSC740347 | | PDB_CODE | | | Molecular Weight (g/mol) | 395.28 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 1 | | Rotatable Bond Count | 2 | | Complexity | 548 | | Topological Polar Surface Area (A^2) | 38.5 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9357754 | | Predicted Log 10(IC50) values | 3.0654173 | | 2D Structure |  |
Record No:62
|
| DB_ACCESS_NUMBER | PPIM0684 | | CID | 249366 | | CHEMBL_ID | | | NSC_ID | NSC67640 | | PDB_CODE | | | Molecular Weight (g/mol) | 324.59 | | XLogP3-AA | 5.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 230 | | Topological Polar Surface Area (A^2) | 127 | | Heavy Atom Count | 17 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2610071 | | Predicted Log 10(IC50) values | 3.4765618 | | 2D Structure |  |
Record No:63
|
| DB_ACCESS_NUMBER | PPIM0685 | | CID | 250324 | | CHEMBL_ID | | | NSC_ID | NSC69579 | | PDB_CODE | | | Molecular Weight (g/mol) | 456.05 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 750 | | Topological Polar Surface Area (A^2) | 74.8 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9188086 | | Predicted Log 10(IC50) values | 4.2382844 | | 2D Structure |  |
Record No:64
|
| DB_ACCESS_NUMBER | PPIM0686 | | CID | 252266 | | CHEMBL_ID | | | NSC_ID | NSC73751 | | PDB_CODE | | | Molecular Weight (g/mol) | 483.39 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 4 | | Complexity | 810 | | Topological Polar Surface Area (A^2) | 97.7 | | Heavy Atom Count | 30 | | Defined Atom Stereocenter Count | 8 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.053762 | | Predicted Log 10(IC50) values | 2.3701912 | | 2D Structure |  |
Record No:65
|
| DB_ACCESS_NUMBER | PPIM0687 | | CID | 252928 | | CHEMBL_ID | | | NSC_ID | NSC75243 | | PDB_CODE | | | Molecular Weight (g/mol) | 362.31 | | XLogP3-AA | -3 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 18 | | Complexity | 248 | | Topological Polar Surface Area (A^2) | 133 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5402425 | | Predicted Log 10(IC50) values | 3.107248 | | 2D Structure |  |
Record No:66
|
| DB_ACCESS_NUMBER | PPIM0688 | | CID | 253596 | | CHEMBL_ID | | | NSC_ID | NSC76702 | | PDB_CODE | | | Molecular Weight (g/mol) | 108.10 | | XLogP3-AA | -0.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 167 | | Topological Polar Surface Area (A^2) | 85.6 | | Heavy Atom Count | 8 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1381769 | | Predicted Log 10(IC50) values | 0.85616239 | | 2D Structure |  |
Record No:67
|
| DB_ACCESS_NUMBER | PPIM0689 | | CID | 255298 | | CHEMBL_ID | | | NSC_ID | NSC80697 | | PDB_CODE | | | Molecular Weight (g/mol) | 469.41 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 3 | | Complexity | 752 | | Topological Polar Surface Area (A^2) | 80.7 | | Heavy Atom Count | 29 | | Defined Atom Stereocenter Count | 9 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No(toxic) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0990044 | | Predicted Log 10(IC50) values | 3.4580966 | | 2D Structure |  |
Record No:68
|
| DB_ACCESS_NUMBER | PPIM0690 | | CID | 255299 | | CHEMBL_ID | | | NSC_ID | NSC80698 | | PDB_CODE | | | Molecular Weight (g/mol) | 525.52 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 835 | | Topological Polar Surface Area (A^2) | 76 | | Heavy Atom Count | 33 | | Defined Atom Stereocenter Count | 13 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2047365 | | Predicted Log 10(IC50) values | 2.6438873 | | 2D Structure |  |
Record No:69
|
| DB_ACCESS_NUMBER | PPIM0691 | | CID | 256282 | | CHEMBL_ID | | | NSC_ID | NSC82866 | | PDB_CODE | | | Molecular Weight (g/mol) | 483.39 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 4 | | Complexity | 810 | | Topological Polar Surface Area (A^2) | 97.7 | | Heavy Atom Count | 30 | | Defined Atom Stereocenter Count | 8 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.053762 | | Predicted Log 10(IC50) values | 2.3701912 | | 2D Structure |  |
Record No:70
|
| DB_ACCESS_NUMBER | PPIM0692 | | CID | 256736 | | CHEMBL_ID | | | NSC_ID | NSC84050 | | PDB_CODE | | | Molecular Weight (g/mol) | 368.08 | | XLogP3-AA | 7.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 0 | | Complexity | 355 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.7604263 | | Predicted Log 10(IC50) values | 4.0254236 | | 2D Structure |  |
Record No:71
|
| DB_ACCESS_NUMBER | PPIM0693 | | CID | 257420 | | CHEMBL_ID | | | NSC_ID | NSC85413 | | PDB_CODE | | | Molecular Weight (g/mol) | 385.34 | | XLogP3-AA | 3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 527 | | Topological Polar Surface Area (A^2) | 49.7 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 9 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4080758 | | Predicted Log 10(IC50) values | 2.9579494 | | 2D Structure |  |
Record No:72
|
| DB_ACCESS_NUMBER | PPIM0694 | | CID | 257927 | | CHEMBL_ID | CHEMBL1978658 | | NSC_ID | NSC86549 | | PDB_CODE | | | Molecular Weight (g/mol) | 434.55 | | XLogP3-AA | 6.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 1 | | Complexity | 380 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1202166 | | Predicted Log 10(IC50) values | 3.5905367 | | 2D Structure |  |
Record No:73
|
| DB_ACCESS_NUMBER | PPIM0695 | | CID | 260216 | | CHEMBL_ID | | | NSC_ID | NSC91237 | | PDB_CODE | | | Molecular Weight (g/mol) | 392.87 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 594 | | Topological Polar Surface Area (A^2) | 51.8 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4949029 | | Predicted Log 10(IC50) values | 4.0441943 | | 2D Structure |  |
Record No:74
|
| DB_ACCESS_NUMBER | PPIM0696 | | CID | 261926 | | CHEMBL_ID | | | NSC_ID | NSC95008 | | PDB_CODE | | | Molecular Weight (g/mol) | 572.43 | | XLogP3-AA | 1.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 5 | | Complexity | 903 | | Topological Polar Surface Area (A^2) | 110 | | Heavy Atom Count | 33 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9401805 | | Predicted Log 10(IC50) values | 0.66256425 | | 2D Structure |  |
Record No:75
|
| DB_ACCESS_NUMBER | PPIM0697 | | CID | 262917 | | CHEMBL_ID | | | NSC_ID | NSC96930 | | PDB_CODE | | | Molecular Weight (g/mol) | 411.38 | | XLogP3-AA | 3.4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 631 | | Topological Polar Surface Area (A^2) | 57.5 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9841051 | | Predicted Log 10(IC50) values | 4.6092522 | | 2D Structure |  |
Record No:76
|
| DB_ACCESS_NUMBER | PPIM0698 | | CID | 263527 | | CHEMBL_ID | | | NSC_ID | NSC98017 | | PDB_CODE | | | Molecular Weight (g/mol) | 554.42 | | XLogP3-AA | 3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 5 | | Complexity | 910 | | Topological Polar Surface Area (A^2) | 89.9 | | Heavy Atom Count | 32 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1669918 | | Predicted Log 10(IC50) values | 1.9670693 | | 2D Structure |  |
Record No:77
|
| DB_ACCESS_NUMBER | PPIM0699 | | CID | 263759 | | CHEMBL_ID | | | NSC_ID | NSC98429 | | PDB_CODE | | | Molecular Weight (g/mol) | 555.54 | | XLogP3-AA | 10.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 7 | | Complexity | 652 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 40 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9808582 | | Predicted Log 10(IC50) values | 2.2589538 | | 2D Structure |  |
Record No:78
|
| DB_ACCESS_NUMBER | PPIM0700 | | CID | 264098 | | CHEMBL_ID | | | NSC_ID | NSC98993 | | PDB_CODE | | | Molecular Weight (g/mol) | 373.34 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 528 | | Topological Polar Surface Area (A^2) | 42.5 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3845601 | | Predicted Log 10(IC50) values | 3.2613331 | | 2D Structure |  |
Record No:79
|
| DB_ACCESS_NUMBER | PPIM0701 | | CID | 264108 | | CHEMBL_ID | | | NSC_ID | NSC99009 | | PDB_CODE | | | Molecular Weight (g/mol) | 490.18 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 628 | | Topological Polar Surface Area (A^2) | 46.5 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2417229 | | Predicted Log 10(IC50) values | 2.225234 | | 2D Structure |  |
Record No:80
|
| DB_ACCESS_NUMBER | PPIM0702 | | CID | 264114 | | CHEMBL_ID | | | NSC_ID | NSC99015 | | PDB_CODE | | | Molecular Weight (g/mol) | 504.20 | | XLogP3-AA | 4.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 643 | | Topological Polar Surface Area (A^2) | 35.5 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3153839 | | Predicted Log 10(IC50) values | 1.7352838 | | 2D Structure |  |
Record No:81
|
| DB_ACCESS_NUMBER | PPIM0703 | | CID | 265647 | | CHEMBL_ID | | | NSC_ID | NSC101879 | | PDB_CODE | | | Molecular Weight (g/mol) | 376.87 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 563 | | Topological Polar Surface Area (A^2) | 42.5 | | Heavy Atom Count | 17 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.6615672 | | Predicted Log 10(IC50) values | 3.8773562 | | 2D Structure |  |
Record No:82
|
| DB_ACCESS_NUMBER | PPIM0704 | | CID | 266019 | | CHEMBL_ID | | | NSC_ID | NSC102910 | | PDB_CODE | | | Molecular Weight (g/mol) | 461.31 | | XLogP3-AA | 1.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 749 | | Topological Polar Surface Area (A^2) | 55.8 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5373785 | | Predicted Log 10(IC50) values | 4.127174 | | 2D Structure |  |
Record No:83
|
| DB_ACCESS_NUMBER | PPIM0705 | | CID | 266020 | | CHEMBL_ID | | | NSC_ID | NSC102912 | | PDB_CODE | | | Molecular Weight (g/mol) | 432.32 | | XLogP3-AA | 0.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 664 | | Topological Polar Surface Area (A^2) | 44.5 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2654654 | | Predicted Log 10(IC50) values | 5.4785071 | | 2D Structure |  |
Record No:84
|
| DB_ACCESS_NUMBER | PPIM0706 | | CID | 266021 | | CHEMBL_ID | | | NSC_ID | NSC102919 | | PDB_CODE | | | Molecular Weight (g/mol) | 435.28 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 668 | | Topological Polar Surface Area (A^2) | 74.6 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4838926 | | Predicted Log 10(IC50) values | 4.980993 | | 2D Structure |  |
Record No:85
|
| DB_ACCESS_NUMBER | PPIM0707 | | CID | 266556 | | CHEMBL_ID | | | NSC_ID | NSC105264 | | PDB_CODE | | | Molecular Weight (g/mol) | 330.51 | | XLogP3-AA | 1 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 11 | | Complexity | 215 | | Topological Polar Surface Area (A^2) | 157 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.9796502 | | Predicted Log 10(IC50) values | 3.2447821 | | 2D Structure |  |
Record No:86
|
| DB_ACCESS_NUMBER | PPIM0708 | | CID | 266849 | | CHEMBL_ID | | | NSC_ID | NSC105652 | | PDB_CODE | | | Molecular Weight (g/mol) | 378.28 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 517 | | Topological Polar Surface Area (A^2) | 45.8 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1524272 | | Predicted Log 10(IC50) values | 2.9307482 | | 2D Structure |  |
Record No:87
|
| DB_ACCESS_NUMBER | PPIM0709 | | CID | 268891 | | CHEMBL_ID | | | NSC_ID | NSC109377 | | PDB_CODE | | | Molecular Weight (g/mol) | 384.62 | | XLogP3-AA | 6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 3 | | Complexity | 287 | | Topological Polar Surface Area (A^2) | 161 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.0231749 | | Predicted Log 10(IC50) values | 2.9850793 | | 2D Structure |  |
Record No:88
|
| DB_ACCESS_NUMBER | PPIM0710 | | CID | 2690313 | | CHEMBL_ID | | | NSC_ID | NSC746270 | | PDB_CODE | | | Molecular Weight (g/mol) | 389.28 | | XLogP3-AA | 3.6 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 3 | | Complexity | 550 | | Topological Polar Surface Area (A^2) | 47.9 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0621516 | | Predicted Log 10(IC50) values | 3.0711943 | | 2D Structure |  |
Record No:89
|
| DB_ACCESS_NUMBER | PPIM0711 | | CID | 270791 | | CHEMBL_ID | | | NSC_ID | NSC113553 | | PDB_CODE | | | Molecular Weight (g/mol) | 418.17 | | XLogP3-AA | 6.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 3 | | Complexity | 356 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2207739 | | Predicted Log 10(IC50) values | 3.552665 | | 2D Structure |  |
Record No:90
|
| DB_ACCESS_NUMBER | PPIM0712 | | CID | 271612 | | CHEMBL_ID | | | NSC_ID | NSC115512 | | PDB_CODE | | | Molecular Weight (g/mol) | 270.43 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 9 | | Complexity | 164 | | Topological Polar Surface Area (A^2) | 133 | | Heavy Atom Count | 14 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0933145 | | Predicted Log 10(IC50) values | 3.5495384 | | 2D Structure |  |
Record No:91
|
| DB_ACCESS_NUMBER | PPIM0713 | | CID | 271900 | | CHEMBL_ID | | | NSC_ID | NSC115897 | | PDB_CODE | | | Molecular Weight (g/mol) | 453.41 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 732 | | Topological Polar Surface Area (A^2) | 63.6 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9659618 | | Predicted Log 10(IC50) values | 4.5198207 | | 2D Structure |  |
Record No:92
|
| DB_ACCESS_NUMBER | PPIM0714 | | CID | 272879 | | CHEMBL_ID | | | NSC_ID | NSC117600 | | PDB_CODE | | | Molecular Weight (g/mol) | 544.45 | | XLogP3-AA | 10.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 1 | | Rotatable Bond Count | 5 | | Complexity | 647 | | Topological Polar Surface Area (A^2) | 17.1 | | Heavy Atom Count | 30 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1757004 | | Predicted Log 10(IC50) values | 1.6011709 | | 2D Structure |  |
Record No:93
|
| DB_ACCESS_NUMBER | PPIM0715 | | CID | 273178 | | CHEMBL_ID | CHEMBL1975573 | | NSC_ID | NSC118176 | | PDB_CODE | | | Molecular Weight (g/mol) | 472.28 | | XLogP3-AA | 1.4 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 718 | | Topological Polar Surface Area (A^2) | 94.6 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | KCNH2 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3410772 | | Predicted Log 10(IC50) values | 4.1604954 | | 2D Structure |  |
Record No:94
|
| DB_ACCESS_NUMBER | PPIM0716 | | CID | 273334 | | CHEMBL_ID | | | NSC_ID | NSC118477 | | PDB_CODE | | | Molecular Weight (g/mol) | 688.65 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 12 | | Rotatable Bond Count | 17 | | Complexity | 1150 | | Topological Polar Surface Area (A^2) | 233 | | Heavy Atom Count | 50 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1262325 | | Predicted Log 10(IC50) values | 2.5594768 | | 2D Structure |  |
Record No:95
|
| DB_ACCESS_NUMBER | PPIM0717 | | CID | 273345 | | CHEMBL_ID | | | NSC_ID | NSC118501 | | PDB_CODE | | | Molecular Weight (g/mol) | 688.65 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 12 | | Rotatable Bond Count | 17 | | Complexity | 1150 | | Topological Polar Surface Area (A^2) | 233 | | Heavy Atom Count | 50 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1262325 | | Predicted Log 10(IC50) values | 2.5594768 | | 2D Structure |  |
Record No:96
|
| DB_ACCESS_NUMBER | PPIM0718 | | CID | 275864 | | CHEMBL_ID | | | NSC_ID | NSC122967 | | PDB_CODE | | | Molecular Weight (g/mol) | 489.81 | | XLogP3-AA | 4.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 652 | | Topological Polar Surface Area (A^2) | 37.3 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3233847 | | Predicted Log 10(IC50) values | 2.303103 | | 2D Structure |  |
Record No:97
|
| DB_ACCESS_NUMBER | PPIM0719 | | CID | 275890 | | CHEMBL_ID | | | NSC_ID | NSC123002 | | PDB_CODE | | | Molecular Weight (g/mol) | 523.88 | | XLogP3-AA | 6.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 667 | | Topological Polar Surface Area (A^2) | 6.5 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.9624592 | | Predicted Log 10(IC50) values | 2.1101125 | | 2D Structure |  |
Record No:98
|
| DB_ACCESS_NUMBER | PPIM0720 | | CID | 275891 | | CHEMBL_ID | | | NSC_ID | NSC123003 | | PDB_CODE | | | Molecular Weight (g/mol) | 398.52 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 0 | | Complexity | 374 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3204887 | | Predicted Log 10(IC50) values | 3.7768882 | | 2D Structure |  |
Record No:99
|
| DB_ACCESS_NUMBER | PPIM0721 | | CID | 275892 | | CHEMBL_ID | | | NSC_ID | NSC123004 | | PDB_CODE | | | Molecular Weight (g/mol) | 398.52 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 0 | | Complexity | 374 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3170115 | | Predicted Log 10(IC50) values | 3.7772662 | | 2D Structure |  |
Record No:100
|
| DB_ACCESS_NUMBER | PPIM0722 | | CID | 275961 | | CHEMBL_ID | | | NSC_ID | NSC123106 | | PDB_CODE | | | Molecular Weight (g/mol) | 334.33 | | XLogP3-AA | -0.9 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 3 | | Complexity | 772 | | Topological Polar Surface Area (A^2) | 139 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2795567 | | Predicted Log 10(IC50) values | 4.5643271 | | 2D Structure |  |
Record No:101
|
| DB_ACCESS_NUMBER | PPIM0723 | | CID | 276369 | | CHEMBL_ID | | | NSC_ID | NSC124109 | | PDB_CODE | | | Molecular Weight (g/mol) | 390.03 | | XLogP3-AA | 1.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 4 | | Complexity | 555 | | Topological Polar Surface Area (A^2) | 61.8 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.066651 | | Predicted Log 10(IC50) values | 3.1068715 | | 2D Structure |  |
Record No:102
|
| DB_ACCESS_NUMBER | PPIM0724 | | CID | 276372 | | CHEMBL_ID | | | NSC_ID | NSC124113 | | PDB_CODE | | | Molecular Weight (g/mol) | 390.07 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 525 | | Topological Polar Surface Area (A^2) | 35.5 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.8445105 | | Predicted Log 10(IC50) values | 3.2209886 | | 2D Structure |  |
Record No:103
|
| DB_ACCESS_NUMBER | PPIM0725 | | CID | 276420 | | CHEMBL_ID | | | NSC_ID | NSC124216 | | PDB_CODE | | | Molecular Weight (g/mol) | 312.48 | | XLogP3-AA | 1.8 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 10 | | Complexity | 215 | | Topological Polar Surface Area (A^2) | 132 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5145617 | | Predicted Log 10(IC50) values | 3.6009538 | | 2D Structure |  |
Record No:104
|
| DB_ACCESS_NUMBER | PPIM0726 | | CID | 277440 | | CHEMBL_ID | | | NSC_ID | NSC126316 | | PDB_CODE | | | Molecular Weight (g/mol) | 548.05 | | XLogP3-AA | 4.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 18 | | Rotatable Bond Count | 0 | | Complexity | 702 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 32 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.7905496 | | Predicted Log 10(IC50) values | 2.677739 | | 2D Structure |  |
Record No:105
|
| DB_ACCESS_NUMBER | PPIM0727 | | CID | 280718 | | CHEMBL_ID | | | NSC_ID | NSC132843 | | PDB_CODE | | | Molecular Weight (g/mol) | 300.54 | | XLogP3-AA | 3.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 0 | | Complexity | 194 | | Topological Polar Surface Area (A^2) | 152 | | Heavy Atom Count | 14 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9586491 | | Predicted Log 10(IC50) values | 3.4794684 | | 2D Structure |  |
Record No:106
|
| DB_ACCESS_NUMBER | PPIM0728 | | CID | 280722 | | CHEMBL_ID | | | NSC_ID | NSC132850 | | PDB_CODE | | | Molecular Weight (g/mol) | 252.46 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 123 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 13 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9783893 | | Predicted Log 10(IC50) values | 3.0257213 | | 2D Structure |  |
Record No:107
|
| DB_ACCESS_NUMBER | PPIM0729 | | CID | 280724 | | CHEMBL_ID | | | NSC_ID | NSC132852 | | PDB_CODE | | | Molecular Weight (g/mol) | 314.57 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 0 | | Complexity | 207 | | Topological Polar Surface Area (A^2) | 152 | | Heavy Atom Count | 15 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5393529 | | Predicted Log 10(IC50) values | 3.3996847 | | 2D Structure |  |
Record No:108
|
| DB_ACCESS_NUMBER | PPIM0730 | | CID | 280865 | | CHEMBL_ID | CHEMBL1423610 | | NSC_ID | NSC133075 | | PDB_CODE | | | Molecular Weight (g/mol) | 343.36 | | XLogP3-AA | 0.7 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 4 | | Complexity | 803 | | Topological Polar Surface Area (A^2) | 148 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | S1PR3, YWHAZ, Eif4e, EIF4G1, F12, KLK5, RGS12, GNAI1, PTGER2, MCL1, ALDH1A1 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0665168 | | Predicted Log 10(IC50) values | 3.7584469 | | 2D Structure |  |
Record No:109
|
| DB_ACCESS_NUMBER | PPIM0731 | | CID | 281774 | | CHEMBL_ID | | | NSC_ID | NSC134658 | | PDB_CODE | | | Molecular Weight (g/mol) | 378.26 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 542 | | Topological Polar Surface Area (A^2) | 38.8 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3703822 | | Predicted Log 10(IC50) values | 3.4178272 | | 2D Structure |  |
Record No:110
|
| DB_ACCESS_NUMBER | PPIM0732 | | CID | 281835 | | CHEMBL_ID | | | NSC_ID | NSC134728 | | PDB_CODE | | | Molecular Weight (g/mol) | 348.35 | | XLogP3-AA | 0 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 4 | | Complexity | 773 | | Topological Polar Surface Area (A^2) | 133 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 4 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9109732 | | Predicted Log 10(IC50) values | 4.3099768 | | 2D Structure |  |
Record No:111
|
| DB_ACCESS_NUMBER | PPIM0733 | | CID | 282617 | | CHEMBL_ID | | | NSC_ID | NSC136293 | | PDB_CODE | | | Molecular Weight (g/mol) | 529.82 | | XLogP3-AA | 8.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 3 | | Complexity | 724 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 35 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.4241322 | | Predicted Log 10(IC50) values | 3.0514219 | | 2D Structure |  |
Record No:112
|
| DB_ACCESS_NUMBER | PPIM0734 | | CID | 282912 | | CHEMBL_ID | | | NSC_ID | NSC137014 | | PDB_CODE | | | Molecular Weight (g/mol) | 424.37 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 691 | | Topological Polar Surface Area (A^2) | 66.4 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2069483 | | Predicted Log 10(IC50) values | 5.627245 | | 2D Structure |  |
Record No:113
|
| DB_ACCESS_NUMBER | PPIM0735 | | CID | 282917 | | CHEMBL_ID | | | NSC_ID | NSC137019 | | PDB_CODE | | | Molecular Weight (g/mol) | 471.37 | | XLogP3-AA | 3.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 691 | | Topological Polar Surface Area (A^2) | 66.4 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2226191 | | Predicted Log 10(IC50) values | 3.5693936 | | 2D Structure |  |
Record No:114
|
| DB_ACCESS_NUMBER | PPIM0736 | | CID | 285939 | | CHEMBL_ID | | | NSC_ID | NSC143602 | | PDB_CODE | | | Molecular Weight (g/mol) | 404.12 | | XLogP3-AA | 8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 3 | | Complexity | 368 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2483798 | | Predicted Log 10(IC50) values | 3.695179 | | 2D Structure |  |
Record No:115
|
| DB_ACCESS_NUMBER | PPIM0737 | | CID | 285957 | | CHEMBL_ID | | | NSC_ID | NSC143623 | | PDB_CODE | | | Molecular Weight (g/mol) | 508.66 | | XLogP3-AA | 9.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 3 | | Complexity | 720 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 40 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4435326 | | Predicted Log 10(IC50) values | 2.8687326 | | 2D Structure |  |
Record No:116
|
| DB_ACCESS_NUMBER | PPIM0738 | | CID | 286110 | | CHEMBL_ID | | | NSC_ID | NSC163430 | | PDB_CODE | | | Molecular Weight (g/mol) | 372.01 | | XLogP3-AA | 1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 576 | | Topological Polar Surface Area (A^2) | 52.6 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No(toxic) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.391906 | | Predicted Log 10(IC50) values | 4.2545252 | | 2D Structure |  |
Record No:117
|
| DB_ACCESS_NUMBER | PPIM0739 | | CID | 286722 | | CHEMBL_ID | | | NSC_ID | NSC145800 | | PDB_CODE | | | Molecular Weight (g/mol) | 390.90 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 578 | | Topological Polar Surface Area (A^2) | 42.5 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5034618 | | Predicted Log 10(IC50) values | 3.7571197 | | 2D Structure |  |
Record No:118
|
| DB_ACCESS_NUMBER | PPIM0740 | | CID | 287408 | | CHEMBL_ID | | | NSC_ID | NSC147416 | | PDB_CODE | | | Molecular Weight (g/mol) | 491.00 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 5 | | Complexity | 699 | | Topological Polar Surface Area (A^2) | 43.4 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9434408 | | Predicted Log 10(IC50) values | 2.7635407 | | 2D Structure |  |
Record No:119
|
| DB_ACCESS_NUMBER | PPIM0741 | | CID | 288059 | | CHEMBL_ID | CHEMBL1966115 | | NSC_ID | NSC148484 | | PDB_CODE | | | Molecular Weight (g/mol) | 403.23 | | XLogP3-AA | 1.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 4 | | Complexity | 701 | | Topological Polar Surface Area (A^2) | 74.8 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9856789 | | Predicted Log 10(IC50) values | 5.5644786 | | 2D Structure |  |
Record No:120
|
| DB_ACCESS_NUMBER | PPIM0742 | | CID | 288588 | | CHEMBL_ID | | | NSC_ID | NSC149856 | | PDB_CODE | | | Molecular Weight (g/mol) | 308.42 | | XLogP3-AA | 1.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 9 | | Complexity | 210 | | Topological Polar Surface Area (A^2) | 126 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | WRN, vpr, VMA11 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1870066 | | Predicted Log 10(IC50) values | 3.6897461 | | 2D Structure |  |
Record No:121
|
| DB_ACCESS_NUMBER | PPIM0743 | | CID | 288854 | | CHEMBL_ID | | | NSC_ID | NSC150206 | | PDB_CODE | | | Molecular Weight (g/mol) | 364.62 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 537 | | Topological Polar Surface Area (A^2) | 45.8 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1093109 | | Predicted Log 10(IC50) values | 3.5446113 | | 2D Structure |  |
Record No:122
|
| DB_ACCESS_NUMBER | PPIM0744 | | CID | 289863 | | CHEMBL_ID | | | NSC_ID | NSC152211 | | PDB_CODE | | | Molecular Weight (g/mol) | 555.00 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 900 | | Topological Polar Surface Area (A^2) | 76 | | Heavy Atom Count | 32 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0169744 | | Predicted Log 10(IC50) values | 3.4268925 | | 2D Structure |  |
Record No:123
|
| DB_ACCESS_NUMBER | PPIM0745 | | CID | 291859 | | CHEMBL_ID | | | NSC_ID | NSC157413 | | PDB_CODE | | | Molecular Weight (g/mol) | 679.89 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 2 | | Complexity | 900 | | Topological Polar Surface Area (A^2) | 124 | | Heavy Atom Count | 31 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | 12207905 | | Protein-Protein Interaction Modulator SVM score | 2.4308369 | | Predicted Log 10(IC50) values | 3.2447638 | | 2D Structure |  |
Record No:124
|
| DB_ACCESS_NUMBER | PPIM0746 | | CID | 291905 | | CHEMBL_ID | | | NSC_ID | NSC157472 | | PDB_CODE | | | Molecular Weight (g/mol) | 264.36 | | XLogP3-AA | -1.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 15 | | Complexity | 134 | | Topological Polar Surface Area (A^2) | 89 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0608799 | | Predicted Log 10(IC50) values | 3.2571003 | | 2D Structure |  |
Record No:125
|
| DB_ACCESS_NUMBER | PPIM0747 | | CID | 292104 | | CHEMBL_ID | | | NSC_ID | NSC157718 | | PDB_CODE | | | Molecular Weight (g/mol) | 367.81 | | XLogP3-AA | 2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 560 | | Topological Polar Surface Area (A^2) | 46.2 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5366789 | | Predicted Log 10(IC50) values | 4.041273 | | 2D Structure |  |
Record No:126
|
| DB_ACCESS_NUMBER | PPIM0748 | | CID | 292152 | | CHEMBL_ID | | | NSC_ID | NSC157786 | | PDB_CODE | | | Molecular Weight (g/mol) | 385.30 | | XLogP3-AA | 7.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 3 | | Complexity | 359 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | 19193100, 20718 | | Protein-Protein Interaction Modulator SVM score | 1.9893836 | | Predicted Log 10(IC50) values | 3.8556566 | | 2D Structure |  |
Record No:127
|
| DB_ACCESS_NUMBER | PPIM0749 | | CID | 293199 | | CHEMBL_ID | | | NSC_ID | NSC159534 | | PDB_CODE | | | Molecular Weight (g/mol) | 424.22 | | XLogP3-AA | 7.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 1 | | Complexity | 346 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.915768 | | Predicted Log 10(IC50) values | 3.4779658 | | 2D Structure |  |
Record No:128
|
| DB_ACCESS_NUMBER | PPIM0750 | | CID | 293257 | | CHEMBL_ID | | | NSC_ID | NSC159603 | | PDB_CODE | | | Molecular Weight (g/mol) | 530.3 | | XLogP3-AA | 8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 729 | | Topological Polar Surface Area (A^2) | 34.1 | | Heavy Atom Count | 30 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5922107 | | Predicted Log 10(IC50) values | 3.1148153 | | 2D Structure |  |
Record No:129
|
| DB_ACCESS_NUMBER | PPIM0751 | | CID | 293259 | | CHEMBL_ID | | | NSC_ID | NSC159605 | | PDB_CODE | | | Molecular Weight (g/mol) | 618.31 | | XLogP3-AA | 6.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 6 | | Complexity | 934 | | Topological Polar Surface Area (A^2) | 86.7 | | Heavy Atom Count | 36 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2520038 | | Predicted Log 10(IC50) values | 1.2288502 | | 2D Structure |  |
Record No:130
|
| DB_ACCESS_NUMBER | PPIM0752 | | CID | 293547 | | CHEMBL_ID | | | NSC_ID | NSC160196 | | PDB_CODE | | | Molecular Weight (g/mol) | 387.15 | | XLogP3-AA | 2.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 5 | | Complexity | 525 | | Topological Polar Surface Area (A^2) | 43.8 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2490656 | | Predicted Log 10(IC50) values | 2.955804 | | 2D Structure |  |
Record No:131
|
| DB_ACCESS_NUMBER | PPIM0753 | | CID | 294835 | | CHEMBL_ID | | | NSC_ID | NSC163884 | | PDB_CODE | | | Molecular Weight (g/mol) | 397.07 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 553 | | Topological Polar Surface Area (A^2) | 38.8 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2675393 | | Predicted Log 10(IC50) values | 3.1279437 | | 2D Structure |  |
Record No:132
|
| DB_ACCESS_NUMBER | PPIM0754 | | CID | 294871 | | CHEMBL_ID | | | NSC_ID | NSC163980 | | PDB_CODE | | | Molecular Weight (g/mol) | 385.95 | | XLogP3-AA | 0.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 0 | | Complexity | 627 | | Topological Polar Surface Area (A^2) | 86.7 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9891509 | | Predicted Log 10(IC50) values | 4.792603 | | 2D Structure |  |
Record No:133
|
| DB_ACCESS_NUMBER | PPIM0755 | | CID | 296886 | | CHEMBL_ID | | | NSC_ID | NSC167436 | | PDB_CODE | | | Molecular Weight (g/mol) | 355.24 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 3 | | Complexity | 524 | | Topological Polar Surface Area (A^2) | 51.8 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9286598 | | Predicted Log 10(IC50) values | 3.3769019 | | 2D Structure |  |
Record No:134
|
| DB_ACCESS_NUMBER | PPIM0756 | | CID | 297480 | | CHEMBL_ID | | | NSC_ID | NSC168631 | | PDB_CODE | | | Molecular Weight (g/mol) | 527.12 | | XLogP3-AA | 4.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 6 | | Complexity | 755 | | Topological Polar Surface Area (A^2) | 58.2 | | Heavy Atom Count | 29 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9347682 | | Predicted Log 10(IC50) values | 4.2874959 | | 2D Structure |  |
Record No:135
|
| DB_ACCESS_NUMBER | PPIM0757 | | CID | 297551 | | CHEMBL_ID | | | NSC_ID | NSC168732 | | PDB_CODE | | | Molecular Weight (g/mol) | 548.14 | | XLogP3-AA | 5.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 16 | | Rotatable Bond Count | 3 | | Complexity | 660 | | Topological Polar Surface Area (A^2) | 17.1 | | Heavy Atom Count | 35 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | 18528553 | | Protein-Protein Interaction Modulator SVM score | 2.296226 | | Predicted Log 10(IC50) values | 1.3932524 | | 2D Structure |  |
Record No:136
|
| DB_ACCESS_NUMBER | PPIM0758 | | CID | 297801 | | CHEMBL_ID | | | NSC_ID | NSC169075 | | PDB_CODE | | | Molecular Weight (g/mol) | 397.29 | | XLogP3-AA | 4.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 2 | | Complexity | 522 | | Topological Polar Surface Area (A^2) | 38.8 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0102274 | | Predicted Log 10(IC50) values | 2.9105889 | | 2D Structure |  |
Record No:137
|
| DB_ACCESS_NUMBER | PPIM0759 | | CID | 299895 | | CHEMBL_ID | | | NSC_ID | NSC173752 | | PDB_CODE | | | Molecular Weight (g/mol) | 381.72 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 516 | | Topological Polar Surface Area (A^2) | 40.6 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2944723 | | Predicted Log 10(IC50) values | 3.0506394 | | 2D Structure |  |
Record No:138
|
| DB_ACCESS_NUMBER | PPIM0760 | | CID | 3002249 | | CHEMBL_ID | | | NSC_ID | NSC15273 | | PDB_CODE | | | Molecular Weight (g/mol) | 380.66 | | XLogP3-AA | 5.4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 6 | | Complexity | 306 | | Topological Polar Surface Area (A^2) | 164 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2749247 | | Predicted Log 10(IC50) values | 2.9761817 | | 2D Structure |  |
Record No:139
|
| DB_ACCESS_NUMBER | PPIM0761 | | CID | 300231 | | CHEMBL_ID | | | NSC_ID | NSC174561 | | PDB_CODE | | | Molecular Weight (g/mol) | 378.22 | | XLogP3-AA | 1.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 618 | | Topological Polar Surface Area (A^2) | 66.8 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1667623 | | Predicted Log 10(IC50) values | 4.9236469 | | 2D Structure |  |
Record No:140
|
| DB_ACCESS_NUMBER | PPIM0762 | | CID | 3003741 | | CHEMBL_ID | | | NSC_ID | NSC15268 | | PDB_CODE | | | Molecular Weight (g/mol) | 328.58 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 10 | | Complexity | 201 | | Topological Polar Surface Area (A^2) | 164 | | Heavy Atom Count | 17 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5889108 | | Predicted Log 10(IC50) values | 3.2054928 | | 2D Structure |  |
Record No:141
|
| DB_ACCESS_NUMBER | PPIM0763 | | CID | 300591 | | CHEMBL_ID | | | NSC_ID | NSC175659 | | PDB_CODE | | | Molecular Weight (g/mol) | 290.48 | | XLogP3-AA | 1.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 11 | | Complexity | 229 | | Topological Polar Surface Area (A^2) | 127 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9573231 | | Predicted Log 10(IC50) values | 3.9964253 | | 2D Structure |  |
Record No:142
|
| DB_ACCESS_NUMBER | PPIM0764 | | CID | 303440 | | CHEMBL_ID | | | NSC_ID | NSC191816 | | PDB_CODE | | | Molecular Weight (g/mol) | 324.57 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 9 | | Complexity | 225 | | Topological Polar Surface Area (A^2) | 121 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2040047 | | Predicted Log 10(IC50) values | 3.5225784 | | 2D Structure |  |
Record No:143
|
| DB_ACCESS_NUMBER | PPIM0765 | | CID | 304571 | | CHEMBL_ID | CHEMBL352147 | | NSC_ID | NSC197038 | | PDB_CODE | | | Molecular Weight (g/mol) | 376.04 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 490 | | Topological Polar Surface Area (A^2) | 40.2 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.046097 | | Predicted Log 10(IC50) values | 3.0018886 | | 2D Structure |  |
Record No:144
|
| DB_ACCESS_NUMBER | PPIM0766 | | CID | 304605 | | CHEMBL_ID | CHEMBL3274887 | | NSC_ID | NSC199106 | | PDB_CODE | | | Molecular Weight (g/mol) | 404.10 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 563 | | Topological Polar Surface Area (A^2) | 40.2 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4265891 | | Predicted Log 10(IC50) values | 3.2174387 | | 2D Structure |  |
Record No:145
|
| DB_ACCESS_NUMBER | PPIM0767 | | CID | 305821 | | CHEMBL_ID | | | NSC_ID | NSC202894 | | PDB_CODE | | | Molecular Weight (g/mol) | 298.44 | | XLogP3-AA | 3.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 10 | | Complexity | 231 | | Topological Polar Surface Area (A^2) | 150 | | Heavy Atom Count | 16 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3136737 | | Predicted Log 10(IC50) values | 3.6194188 | | 2D Structure |  |
Record No:146
|
| DB_ACCESS_NUMBER | PPIM0768 | | CID | 306511 | | CHEMBL_ID | | | NSC_ID | NSC204194 | | PDB_CODE | | | Molecular Weight (g/mol) | 502.03 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 751 | | Topological Polar Surface Area (A^2) | 37.4 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1939352 | | Predicted Log 10(IC50) values | 3.7325922 | | 2D Structure |  |
Record No:147
|
| DB_ACCESS_NUMBER | PPIM0769 | | CID | 306512 | | CHEMBL_ID | | | NSC_ID | NSC204195 | | PDB_CODE | | | Molecular Weight (g/mol) | 494.39 | | XLogP3-AA | 4.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 709 | | Topological Polar Surface Area (A^2) | 37.4 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5633613 | | Predicted Log 10(IC50) values | 2.9883178 | | 2D Structure |  |
Record No:148
|
| DB_ACCESS_NUMBER | PPIM0770 | | CID | 306513 | | CHEMBL_ID | | | NSC_ID | NSC204196 | | PDB_CODE | | | Molecular Weight (g/mol) | 475.95 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 696 | | Topological Polar Surface Area (A^2) | 46.6 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No(toxic) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2085194 | | Predicted Log 10(IC50) values | 3.5820598 | | 2D Structure |  |
Record No:149
|
| DB_ACCESS_NUMBER | PPIM0771 | | CID | 306515 | | CHEMBL_ID | | | NSC_ID | NSC204198 | | PDB_CODE | | | Molecular Weight (g/mol) | 473.98 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 708 | | Topological Polar Surface Area (A^2) | 37.4 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2816401 | | Predicted Log 10(IC50) values | 3.8319307 | | 2D Structure |  |
Record No:150
|
| DB_ACCESS_NUMBER | PPIM0772 | | CID | 306625 | | CHEMBL_ID | | | NSC_ID | NSC204310 | | PDB_CODE | | | Molecular Weight (g/mol) | 484.01 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 3 | | Complexity | 692 | | Topological Polar Surface Area (A^2) | 57.6 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0129207 | | Predicted Log 10(IC50) values | 2.8605072 | | 2D Structure |  |
Record No:151
|
| DB_ACCESS_NUMBER | PPIM0773 | | CID | 306992 | | CHEMBL_ID | | | NSC_ID | NSC204692 | | PDB_CODE | | | Molecular Weight (g/mol) | 432.01 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 690 | | Topological Polar Surface Area (A^2) | 62.7 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0296337 | | Predicted Log 10(IC50) values | 5.5112844 | | 2D Structure |  |
Record No:152
|
| DB_ACCESS_NUMBER | PPIM0774 | | CID | 306994 | | CHEMBL_ID | | | NSC_ID | NSC204694 | | PDB_CODE | | | Molecular Weight (g/mol) | 473.98 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 698 | | Topological Polar Surface Area (A^2) | 37.4 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1969219 | | Predicted Log 10(IC50) values | 3.7479209 | | 2D Structure |  |
Record No:153
|
| DB_ACCESS_NUMBER | PPIM0775 | | CID | 306995 | | CHEMBL_ID | | | NSC_ID | NSC204695 | | PDB_CODE | | | Molecular Weight (g/mol) | 510.39 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 727 | | Topological Polar Surface Area (A^2) | 46.6 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5399231 | | Predicted Log 10(IC50) values | 3.2305635 | | 2D Structure |  |
Record No:154
|
| DB_ACCESS_NUMBER | PPIM0776 | | CID | 306996 | | CHEMBL_ID | | | NSC_ID | NSC204696 | | PDB_CODE | | | Molecular Weight (g/mol) | 524.82 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 675 | | Topological Polar Surface Area (A^2) | 37.4 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5401568 | | Predicted Log 10(IC50) values | 0.92281007 | | 2D Structure |  |
Record No:155
|
| DB_ACCESS_NUMBER | PPIM0777 | | CID | 306997 | | CHEMBL_ID | | | NSC_ID | NSC204697 | | PDB_CODE | | | Molecular Weight (g/mol) | 475.95 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 696 | | Topological Polar Surface Area (A^2) | 46.6 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2085194 | | Predicted Log 10(IC50) values | 3.5820598 | | 2D Structure |  |
Record No:156
|
| DB_ACCESS_NUMBER | PPIM0778 | | CID | 306998 | | CHEMBL_ID | | | NSC_ID | NSC204698 | | PDB_CODE | | | Molecular Weight (g/mol) | 502.03 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 3 | | Complexity | 726 | | Topological Polar Surface Area (A^2) | 37.4 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.423603 | | Predicted Log 10(IC50) values | 3.200701 | | 2D Structure |  |
Record No:157
|
| DB_ACCESS_NUMBER | PPIM0779 | | CID | 306999 | | CHEMBL_ID | | | NSC_ID | NSC204699 | | PDB_CODE | | | Molecular Weight (g/mol) | 505.97 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 744 | | Topological Polar Surface Area (A^2) | 55.8 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2687408 | | Predicted Log 10(IC50) values | 3.9368954 | | 2D Structure |  |
Record No:158
|
| DB_ACCESS_NUMBER | PPIM0780 | | CID | 307198 | | CHEMBL_ID | | | NSC_ID | NSC205009 | | PDB_CODE | | | Molecular Weight (g/mol) | 514.81 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 710 | | Topological Polar Surface Area (A^2) | 37.4 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.795235 | | Predicted Log 10(IC50) values | 2.4237901 | | 2D Structure |  |
Record No:159
|
| DB_ACCESS_NUMBER | PPIM0781 | | CID | 308378 | | CHEMBL_ID | | | NSC_ID | NSC209877 | | PDB_CODE | | | Molecular Weight (g/mol) | 396.28 | | XLogP3-AA | 5.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 522 | | Topological Polar Surface Area (A^2) | 39.2 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9729135 | | Predicted Log 10(IC50) values | 2.9259399 | | 2D Structure |  |
Record No:160
|
| DB_ACCESS_NUMBER | PPIM0782 | | CID | 310597 | | CHEMBL_ID | | | NSC_ID | NSC215166 | | PDB_CODE | | | Molecular Weight (g/mol) | 398.09 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 519 | | Topological Polar Surface Area (A^2) | 34.1 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4327643 | | Predicted Log 10(IC50) values | 3.1481407 | | 2D Structure |  |
Record No:161
|
| DB_ACCESS_NUMBER | PPIM0783 | | CID | 310814 | | CHEMBL_ID | | | NSC_ID | NSC215747 | | PDB_CODE | | | Molecular Weight (g/mol) | 294.42 | | XLogP3-AA | 1.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 13 | | Complexity | 210 | | Topological Polar Surface Area (A^2) | 125 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2586473 | | Predicted Log 10(IC50) values | 3.9067462 | | 2D Structure |  |
Record No:162
|
| DB_ACCESS_NUMBER | PPIM0784 | | CID | 312291 | | CHEMBL_ID | | | NSC_ID | NSC221670 | | PDB_CODE | | | Molecular Weight (g/mol) | 502.20 | | XLogP3-AA | 3.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 659 | | Topological Polar Surface Area (A^2) | 40.6 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0417587 | | Predicted Log 10(IC50) values | 1.4617123 | | 2D Structure |  |
Record No:163
|
| DB_ACCESS_NUMBER | PPIM0785 | | CID | 313819 | | CHEMBL_ID | | | NSC_ID | NSC229483 | | PDB_CODE | | | Molecular Weight (g/mol) | 426.12 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 572 | | Topological Polar Surface Area (A^2) | 42.5 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9041227 | | Predicted Log 10(IC50) values | 3.1194385 | | 2D Structure |  |
Record No:164
|
| DB_ACCESS_NUMBER | PPIM0786 | | CID | 313998 | | CHEMBL_ID | | | NSC_ID | NSC230306 | | PDB_CODE | | | Molecular Weight (g/mol) | 505.43 | | XLogP3-AA | 9.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 1 | | Rotatable Bond Count | 4 | | Complexity | 734 | | Topological Polar Surface Area (A^2) | 17.1 | | Heavy Atom Count | 36 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9881827 | | Predicted Log 10(IC50) values | 3.0694385 | | 2D Structure |  |
Record No:165
|
| DB_ACCESS_NUMBER | PPIM0787 | | CID | 314010 | | CHEMBL_ID | | | NSC_ID | NSC230318 | | PDB_CODE | | | Molecular Weight (g/mol) | 515.45 | | XLogP3-AA | 8.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 1 | | Rotatable Bond Count | 4 | | Complexity | 689 | | Topological Polar Surface Area (A^2) | 17.1 | | Heavy Atom Count | 35 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0410123 | | Predicted Log 10(IC50) values | 1.9415986 | | 2D Structure |  |
Record No:166
|
| DB_ACCESS_NUMBER | PPIM0788 | | CID | 314399 | | CHEMBL_ID | | | NSC_ID | NSC231824 | | PDB_CODE | | | Molecular Weight (g/mol) | 316.42 | | XLogP3-AA | -1.4 | | Hydrogen Bond Donor Count | 6 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 10 | | Complexity | 227 | | Topological Polar Surface Area (A^2) | 172 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1133249 | | Predicted Log 10(IC50) values | 3.2578575 | | 2D Structure |  |
Record No:167
|
| DB_ACCESS_NUMBER | PPIM0789 | | CID | 314734 | | CHEMBL_ID | | | NSC_ID | NSC234221 | | PDB_CODE | | | Molecular Weight (g/mol) | 378.43 | | XLogP3-AA | 2.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 5 | | Complexity | 525 | | Topological Polar Surface Area (A^2) | 52.6 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9618034 | | Predicted Log 10(IC50) values | 2.8790649 | | 2D Structure |  |
Record No:168
|
| DB_ACCESS_NUMBER | PPIM0790 | | CID | 314735 | | CHEMBL_ID | | | NSC_ID | NSC234222 | | PDB_CODE | | | Molecular Weight (g/mol) | 377.44 | | XLogP3-AA | 2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 5 | | Complexity | 582 | | Topological Polar Surface Area (A^2) | 55.4 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0369165 | | Predicted Log 10(IC50) values | 4.1528465 | | 2D Structure |  |
Record No:169
|
| DB_ACCESS_NUMBER | PPIM0791 | | CID | 315725 | | CHEMBL_ID | | | NSC_ID | NSC241474 | | PDB_CODE | | | Molecular Weight (g/mol) | 480.92 | | XLogP3-AA | 1.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 797 | | Topological Polar Surface Area (A^2) | 83.6 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3126326 | | Predicted Log 10(IC50) values | 3.702917 | | 2D Structure |  |
Record No:170
|
| DB_ACCESS_NUMBER | PPIM0792 | | CID | 315788 | | CHEMBL_ID | | | NSC_ID | NSC241602 | | PDB_CODE | | | Molecular Weight (g/mol) | 508.91 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 1 | | Complexity | 803 | | Topological Polar Surface Area (A^2) | 83.2 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2439516 | | Predicted Log 10(IC50) values | 3.999173 | | 2D Structure |  |
Record No:171
|
| DB_ACCESS_NUMBER | PPIM0793 | | CID | 318875 | | CHEMBL_ID | | | NSC_ID | NSC259659 | | PDB_CODE | | | Molecular Weight (g/mol) | 562.75 | | XLogP3-AA | 12.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 7 | | Complexity | 757 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 44 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9387393 | | Predicted Log 10(IC50) values | 4.022772 | | 2D Structure |  |
Record No:172
|
| DB_ACCESS_NUMBER | PPIM0794 | | CID | 319662 | | CHEMBL_ID | | | NSC_ID | NSC264324 | | PDB_CODE | | | Molecular Weight (g/mol) | 503.28 | | XLogP3-AA | 1.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 3 | | Complexity | 853 | | Topological Polar Surface Area (A^2) | 114 | | Heavy Atom Count | 30 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9482487 | | Predicted Log 10(IC50) values | 1.9111062 | | 2D Structure |  |
Record No:173
|
| DB_ACCESS_NUMBER | PPIM0795 | | CID | 320731 | | CHEMBL_ID | | | NSC_ID | NSC269231 | | PDB_CODE | | | Molecular Weight (g/mol) | 331.35 | | XLogP3-AA | -0.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 775 | | Topological Polar Surface Area (A^2) | 129 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0987791 | | Predicted Log 10(IC50) values | 4.5151634 | | 2D Structure |  |
Record No:174
|
| DB_ACCESS_NUMBER | PPIM0796 | | CID | 321168 | | CHEMBL_ID | | | NSC_ID | NSC270678 | | PDB_CODE | | | Molecular Weight (g/mol) | 659.09 | | XLogP3-AA | 6.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 22 | | Rotatable Bond Count | 8 | | Complexity | 900 | | Topological Polar Surface Area (A^2) | 85 | | Heavy Atom Count | 34 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9347 | | Predicted Log 10(IC50) values | 3.3965225 | | 2D Structure |  |
Record No:175
|
| DB_ACCESS_NUMBER | PPIM0797 | | CID | 322987 | | CHEMBL_ID | | | NSC_ID | NSC281692 | | PDB_CODE | | | Molecular Weight (g/mol) | 365.96 | | XLogP3-AA | 0.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 5 | | Complexity | 251 | | Topological Polar Surface Area (A^2) | 132 | | Heavy Atom Count | 16 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5744064 | | Predicted Log 10(IC50) values | 3.0954611 | | 2D Structure |  |
Record No:176
|
| DB_ACCESS_NUMBER | PPIM0798 | | CID | 323345 | | CHEMBL_ID | | | NSC_ID | NSC282739 | | PDB_CODE | | | Molecular Weight (g/mol) | 455.12 | | XLogP3-AA | 4.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 3 | | Complexity | 754 | | Topological Polar Surface Area (A^2) | 83.1 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9137775 | | Predicted Log 10(IC50) values | 4.1326652 | | 2D Structure |  |
Record No:177
|
| DB_ACCESS_NUMBER | PPIM0799 | | CID | 323505 | | CHEMBL_ID | | | NSC_ID | NSC284155 | | PDB_CODE | | | Molecular Weight (g/mol) | 402.26 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 602 | | Topological Polar Surface Area (A^2) | 62.8 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0858647 | | Predicted Log 10(IC50) values | 3.8131585 | | 2D Structure |  |
Record No:178
|
| DB_ACCESS_NUMBER | PPIM0800 | | CID | 324956 | | CHEMBL_ID | | | NSC_ID | NSC292152 | | PDB_CODE | | | Molecular Weight (g/mol) | 518.56 | | XLogP3-AA | 6.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 19 | | Rotatable Bond Count | 7 | | Complexity | 730 | | Topological Polar Surface Area (A^2) | 42.5 | | Heavy Atom Count | 29 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No(toxic) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0674254 | | Predicted Log 10(IC50) values | 3.0371721 | | 2D Structure |  |
Record No:179
|
| DB_ACCESS_NUMBER | PPIM0801 | | CID | 326052 | | CHEMBL_ID | | | NSC_ID | NSC295730 | | PDB_CODE | | | Molecular Weight (g/mol) | 296.56 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 101 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 16 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No(toxic) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3269152 | | Predicted Log 10(IC50) values | 3.0106662 | | 2D Structure |  |
Record No:180
|
| DB_ACCESS_NUMBER | PPIM0802 | | CID | 327108 | | CHEMBL_ID | | | NSC_ID | NSC300610 | | PDB_CODE | | | Molecular Weight (g/mol) | 389.24 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 585 | | Topological Polar Surface Area (A^2) | 60.8 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2973721 | | Predicted Log 10(IC50) values | 3.7681446 | | 2D Structure |  |
Record No:181
|
| DB_ACCESS_NUMBER | PPIM0803 | | CID | 327306 | | CHEMBL_ID | | | NSC_ID | NSC301764 | | PDB_CODE | | | Molecular Weight (g/mol) | 399.28 | | XLogP3-AA | 0.4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 4 | | Complexity | 573 | | Topological Polar Surface Area (A^2) | 62.2 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1436702 | | Predicted Log 10(IC50) values | 3.2513535 | | 2D Structure |  |
Record No:182
|
| DB_ACCESS_NUMBER | PPIM0804 | | CID | 328362 | | CHEMBL_ID | | | NSC_ID | NSC306733 | | PDB_CODE | | | Molecular Weight (g/mol) | 450.91 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 650 | | Topological Polar Surface Area (A^2) | 60.4 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2941415 | | Predicted Log 10(IC50) values | 4.0222734 | | 2D Structure |  |
Record No:183
|
| DB_ACCESS_NUMBER | PPIM0805 | | CID | 328584 | | CHEMBL_ID | | | NSC_ID | NSC307437 | | PDB_CODE | | | Molecular Weight (g/mol) | 362.17 | | XLogP3-AA | 2.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 1 | | Complexity | 555 | | Topological Polar Surface Area (A^2) | 57.1 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0640021 | | Predicted Log 10(IC50) values | 3.9721939 | | 2D Structure |  |
Record No:184
|
| DB_ACCESS_NUMBER | PPIM0806 | | CID | 329828 | | CHEMBL_ID | | | NSC_ID | NSC314625 | | PDB_CODE | | | Molecular Weight (g/mol) | 511.77 | | XLogP3-AA | 2.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 10 | | Complexity | 849 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 32 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.107895 | | Predicted Log 10(IC50) values | 2.1159997 | | 2D Structure |  |
Record No:185
|
| DB_ACCESS_NUMBER | PPIM0807 | | CID | 329836 | | CHEMBL_ID | | | NSC_ID | NSC314637 | | PDB_CODE | | | Molecular Weight (g/mol) | 445.30 | | XLogP3-AA | 0.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 5 | | Complexity | 723 | | Topological Polar Surface Area (A^2) | 94.6 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0056006 | | Predicted Log 10(IC50) values | 4.7936519 | | 2D Structure |  |
Record No:186
|
| DB_ACCESS_NUMBER | PPIM0808 | | CID | 330059 | | CHEMBL_ID | | | NSC_ID | NSC315572 | | PDB_CODE | | | Molecular Weight (g/mol) | 655.39 | | XLogP3-AA | 10.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 23 | | Rotatable Bond Count | 0 | | Complexity | 960 | | Topological Polar Surface Area (A^2) | 104 | | Heavy Atom Count | 37 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.993865 | | Predicted Log 10(IC50) values | 2.1526411 | | 2D Structure |  |
Record No:187
|
| DB_ACCESS_NUMBER | PPIM0809 | | CID | 330313 | | CHEMBL_ID | | | NSC_ID | NSC318147 | | PDB_CODE | | | Molecular Weight (g/mol) | 370.59 | | XLogP3-AA | 6.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 7 | | Complexity | 286 | | Topological Polar Surface Area (A^2) | 165 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.9154511 | | Predicted Log 10(IC50) values | 2.9745358 | | 2D Structure |  |
Record No:188
|
| DB_ACCESS_NUMBER | PPIM0810 | | CID | 333824 | | CHEMBL_ID | | | NSC_ID | NSC337845 | | PDB_CODE | | | Molecular Weight (g/mol) | 390.80 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 3 | | Complexity | 553 | | Topological Polar Surface Area (A^2) | 42 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0518128 | | Predicted Log 10(IC50) values | 3.1644467 | | 2D Structure |  |
Record No:189
|
| DB_ACCESS_NUMBER | PPIM0811 | | CID | 333905 | | CHEMBL_ID | | | NSC_ID | NSC338041 | | PDB_CODE | | | Molecular Weight (g/mol) | 502.20 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 663 | | Topological Polar Surface Area (A^2) | 40.6 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0213776 | | Predicted Log 10(IC50) values | 1.4616696 | | 2D Structure |  |
Record No:190
|
| DB_ACCESS_NUMBER | PPIM0812 | | CID | 334123 | | CHEMBL_ID | | | NSC_ID | NSC338496 | | PDB_CODE | | | Molecular Weight (g/mol) | 730.84 | | XLogP3-AA | 2.6 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 12 | | Rotatable Bond Count | 21 | | Complexity | 1180 | | Topological Polar Surface Area (A^2) | 237 | | Heavy Atom Count | 50 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9228446 | | Predicted Log 10(IC50) values | 2.1161135 | | 2D Structure |  |
Record No:191
|
| DB_ACCESS_NUMBER | PPIM0813 | | CID | 334894 | | CHEMBL_ID | | | NSC_ID | NSC342018 | | PDB_CODE | | | Molecular Weight (g/mol) | 356.57 | | XLogP3-AA | 0.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 13 | | Complexity | 242 | | Topological Polar Surface Area (A^2) | 159 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.4127376 | | Predicted Log 10(IC50) values | 3.0686219 | | 2D Structure |  |
Record No:192
|
| DB_ACCESS_NUMBER | PPIM0814 | | CID | 335630 | | CHEMBL_ID | | | NSC_ID | NSC345846 | | PDB_CODE | | | Molecular Weight (g/mol) | 476.57 | | XLogP3-AA | -1.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 6 | | Complexity | 751 | | Topological Polar Surface Area (A^2) | 84 | | Heavy Atom Count | 34 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0090177 | | Predicted Log 10(IC50) values | 4.2248445 | | 2D Structure |  |
Record No:193
|
| DB_ACCESS_NUMBER | PPIM0815 | | CID | 335900 | | CHEMBL_ID | | | NSC_ID | NSC348061 | | PDB_CODE | | | Molecular Weight (g/mol) | 447.32 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 5 | | Complexity | 735 | | Topological Polar Surface Area (A^2) | 79.6 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0194696 | | Predicted Log 10(IC50) values | 4.6413629 | | 2D Structure |  |
Record No:194
|
| DB_ACCESS_NUMBER | PPIM0816 | | CID | 337231 | | CHEMBL_ID | | | NSC_ID | NSC354407 | | PDB_CODE | | | Molecular Weight (g/mol) | 530.25 | | XLogP3-AA | 6.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 14 | | Rotatable Bond Count | 0 | | Complexity | 735 | | Topological Polar Surface Area (A^2) | 18.5 | | Heavy Atom Count | 34 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.0237523 | | Predicted Log 10(IC50) values | 3.2936632 | | 2D Structure |  |
Record No:195
|
| DB_ACCESS_NUMBER | PPIM0817 | | CID | 337978 | | CHEMBL_ID | | | NSC_ID | NSC358308 | | PDB_CODE | | | Molecular Weight (g/mol) | 397.63 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 586 | | Topological Polar Surface Area (A^2) | 59.5 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9246153 | | Predicted Log 10(IC50) values | 3.5125906 | | 2D Structure |  |
Record No:196
|
| DB_ACCESS_NUMBER | PPIM0818 | | CID | 338368 | | CHEMBL_ID | | | NSC_ID | NSC360373 | | PDB_CODE | | | Molecular Weight (g/mol) | 350.53 | | XLogP3-AA | 3.4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 17 | | Complexity | 257 | | Topological Polar Surface Area (A^2) | 125 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.153251 | | Predicted Log 10(IC50) values | 3.1810876 | | 2D Structure |  |
Record No:197
|
| DB_ACCESS_NUMBER | PPIM0819 | | CID | 338370 | | CHEMBL_ID | | | NSC_ID | NSC360375 | | PDB_CODE | | | Molecular Weight (g/mol) | 294.42 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 11 | | Complexity | 233 | | Topological Polar Surface Area (A^2) | 125 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.971082 | | Predicted Log 10(IC50) values | 3.9464629 | | 2D Structure |  |
Record No:198
|
| DB_ACCESS_NUMBER | PPIM0820 | | CID | 338371 | | CHEMBL_ID | | | NSC_ID | NSC360376 | | PDB_CODE | | | Molecular Weight (g/mol) | 350.53 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 17 | | Complexity | 257 | | Topological Polar Surface Area (A^2) | 125 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1581943 | | Predicted Log 10(IC50) values | 3.1810749 | | 2D Structure |  |
Record No:199
|
| DB_ACCESS_NUMBER | PPIM0821 | | CID | 338483 | | CHEMBL_ID | | | NSC_ID | NSC361403 | | PDB_CODE | | | Molecular Weight (g/mol) | 516.30 | | XLogP3-AA | 7.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 15 | | Rotatable Bond Count | 0 | | Complexity | 678 | | Topological Polar Surface Area (A^2) | 19.5 | | Heavy Atom Count | 33 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2288358 | | Predicted Log 10(IC50) values | 1.5990705 | | 2D Structure |  |
Record No:200
|
| DB_ACCESS_NUMBER | PPIM0822 | | CID | 339491 | | CHEMBL_ID | | | NSC_ID | NSC366229 | | PDB_CODE | | | Molecular Weight (g/mol) | 474.75 | | XLogP3-AA | 5.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 1 | | Rotatable Bond Count | 0 | | Complexity | 717 | | Topological Polar Surface Area (A^2) | 52.7 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.528876 | | Predicted Log 10(IC50) values | 3.9771883 | | 2D Structure |  |
Record No:201
|
| DB_ACCESS_NUMBER | PPIM0823 | | CID | 339495 | | CHEMBL_ID | | | NSC_ID | NSC366234 | | PDB_CODE | | | Molecular Weight (g/mol) | 467.16 | | XLogP3-AA | 4.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 1 | | Rotatable Bond Count | 2 | | Complexity | 748 | | Topological Polar Surface Area (A^2) | 59.2 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.143694 | | Predicted Log 10(IC50) values | 4.1076933 | | 2D Structure |  |
Record No:202
|
| DB_ACCESS_NUMBER | PPIM0824 | | CID | 340322 | | CHEMBL_ID | | | NSC_ID | NSC370660 | | PDB_CODE | | | Molecular Weight (g/mol) | 389.00 | | XLogP3-AA | 3.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 596 | | Topological Polar Surface Area (A^2) | 71.1 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1966741 | | Predicted Log 10(IC50) values | 4.1724603 | | 2D Structure |  |
Record No:203
|
| DB_ACCESS_NUMBER | PPIM0825 | | CID | 340966 | | CHEMBL_ID | | | NSC_ID | NSC372296 | | PDB_CODE | | | Molecular Weight (g/mol) | 367.61 | | XLogP3-AA | 5.4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 541 | | Topological Polar Surface Area (A^2) | 50.4 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9547916 | | Predicted Log 10(IC50) values | 3.4204495 | | 2D Structure |  |
Record No:204
|
| DB_ACCESS_NUMBER | PPIM0826 | | CID | 341354 | | CHEMBL_ID | | | NSC_ID | NSC373272 | | PDB_CODE | | | Molecular Weight (g/mol) | 322.28 | | XLogP3-AA | -0.5 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 2 | | Complexity | 776 | | Topological Polar Surface Area (A^2) | 150 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4249359 | | Predicted Log 10(IC50) values | 4.5529568 | | 2D Structure |  |
Record No:205
|
| DB_ACCESS_NUMBER | PPIM0827 | | CID | 341989 | | CHEMBL_ID | | | NSC_ID | NSC376732 | | PDB_CODE | | | Molecular Weight (g/mol) | 361.27 | | XLogP3-AA | -0.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 4 | | Complexity | 606 | | Topological Polar Surface Area (A^2) | 73.2 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9731081 | | Predicted Log 10(IC50) values | 5.2921485 | | 2D Structure |  |
Record No:206
|
| DB_ACCESS_NUMBER | PPIM0828 | | CID | 342063 | | CHEMBL_ID | | | NSC_ID | NSC377141 | | PDB_CODE | | | Molecular Weight (g/mol) | 410.02 | | XLogP3-AA | -0.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 598 | | Topological Polar Surface Area (A^2) | 81.2 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 3 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1006318 | | Predicted Log 10(IC50) values | 3.5479758 | | 2D Structure |  |
Record No:207
|
| DB_ACCESS_NUMBER | PPIM0829 | | CID | 342081 | | CHEMBL_ID | | | NSC_ID | NSC377161 | | PDB_CODE | | | Molecular Weight (g/mol) | 314.30 | | XLogP3-AA | 1.2 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 2 | | Complexity | 828 | | Topological Polar Surface Area (A^2) | 142 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0157952 | | Predicted Log 10(IC50) values | 3.3319271 | | 2D Structure |  |
Record No:208
|
| DB_ACCESS_NUMBER | PPIM0830 | | CID | 343048 | | CHEMBL_ID | | | NSC_ID | NSC381800 | | PDB_CODE | | | Molecular Weight (g/mol) | 347.94 | | XLogP3-AA | 1.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 499 | | Topological Polar Surface Area (A^2) | 60.4 | | Heavy Atom Count | 16 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.986002 | | Predicted Log 10(IC50) values | 2.8833355 | | 2D Structure |  |
Record No:209
|
| DB_ACCESS_NUMBER | PPIM0831 | | CID | 345158 | | CHEMBL_ID | | | NSC_ID | NSC402566 | | PDB_CODE | | | Molecular Weight (g/mol) | 302.49 | | XLogP3-AA | 4.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 8 | | Complexity | 195 | | Topological Polar Surface Area (A^2) | 159 | | Heavy Atom Count | 15 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1788682 | | Predicted Log 10(IC50) values | 3.4131591 | | 2D Structure |  |
Record No:210
|
| DB_ACCESS_NUMBER | PPIM0832 | | CID | 345159 | | CHEMBL_ID | | | NSC_ID | NSC402567 | | PDB_CODE | | | Molecular Weight (g/mol) | 338.55 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 9 | | Complexity | 207 | | Topological Polar Surface Area (A^2) | 184 | | Heavy Atom Count | 16 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9390451 | | Predicted Log 10(IC50) values | 3.077399 | | 2D Structure |  |
Record No:211
|
| DB_ACCESS_NUMBER | PPIM0833 | | CID | 345160 | | CHEMBL_ID | | | NSC_ID | NSC402568 | | PDB_CODE | | | Molecular Weight (g/mol) | 298.49 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 9 | | Complexity | 209 | | Topological Polar Surface Area (A^2) | 133 | | Heavy Atom Count | 16 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4193072 | | Predicted Log 10(IC50) values | 3.7648721 | | 2D Structure |  |
Record No:212
|
| DB_ACCESS_NUMBER | PPIM0834 | | CID | 345161 | | CHEMBL_ID | | | NSC_ID | NSC402569 | | PDB_CODE | | | Molecular Weight (g/mol) | 330.55 | | XLogP3-AA | 5.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 10 | | Complexity | 223 | | Topological Polar Surface Area (A^2) | 159 | | Heavy Atom Count | 17 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.228917 | | Predicted Log 10(IC50) values | 3.2357267 | | 2D Structure |  |
Record No:213
|
| DB_ACCESS_NUMBER | PPIM0835 | | CID | 345162 | | CHEMBL_ID | | | NSC_ID | NSC402570 | | PDB_CODE | | | Molecular Weight (g/mol) | 358.60 | | XLogP3-AA | 6.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 14 | | Complexity | 224 | | Topological Polar Surface Area (A^2) | 159 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.1125172 | | Predicted Log 10(IC50) values | 3.0722647 | | 2D Structure |  |
Record No:214
|
| DB_ACCESS_NUMBER | PPIM0836 | | CID | 345526 | | CHEMBL_ID | | | NSC_ID | NSC403194 | | PDB_CODE | | | Molecular Weight (g/mol) | 362.61 | | XLogP3-AA | 6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 11 | | Complexity | 235 | | Topological Polar Surface Area (A^2) | 184 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5612663 | | Predicted Log 10(IC50) values | 3.0001647 | | 2D Structure |  |
Record No:215
|
| DB_ACCESS_NUMBER | PPIM0837 | | CID | 345527 | | CHEMBL_ID | | | NSC_ID | NSC403195 | | PDB_CODE | | | Molecular Weight (g/mol) | 370.61 | | XLogP3-AA | 7.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 14 | | Complexity | 279 | | Topological Polar Surface Area (A^2) | 165 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.1047348 | | Predicted Log 10(IC50) values | 2.9808177 | | 2D Structure |  |
Record No:216
|
| DB_ACCESS_NUMBER | PPIM0838 | | CID | 345998 | | CHEMBL_ID | | | NSC_ID | NSC403987 | | PDB_CODE | | | Molecular Weight (g/mol) | 678.59 | | XLogP3-AA | -0.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 19 | | Rotatable Bond Count | 20 | | Complexity | 1110 | | Topological Polar Surface Area (A^2) | 238 | | Heavy Atom Count | 47 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.6630318 | | Predicted Log 10(IC50) values | 2.7498154 | | 2D Structure |  |
Record No:217
|
| DB_ACCESS_NUMBER | PPIM0839 | | CID | 3465612 | | CHEMBL_ID | | | NSC_ID | NSC161526 | | PDB_CODE | | | Molecular Weight (g/mol) | 342.57 | | XLogP3-AA | 2.2 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 6 | | Complexity | 277 | | Topological Polar Surface Area (A^2) | 177 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0976705 | | Predicted Log 10(IC50) values | 2.9876378 | | 2D Structure |  |
Record No:218
|
| DB_ACCESS_NUMBER | PPIM0840 | | CID | 347885 | | CHEMBL_ID | | | NSC_ID | NSC406796 | | PDB_CODE | | | Molecular Weight (g/mol) | 397.80 | | XLogP3-AA | 8.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 4 | | Complexity | 374 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9384388 | | Predicted Log 10(IC50) values | 3.7704603 | | 2D Structure |  |
Record No:219
|
| DB_ACCESS_NUMBER | PPIM0841 | | CID | 348754 | | CHEMBL_ID | | | NSC_ID | NSC408221 | | PDB_CODE | | | Molecular Weight (g/mol) | 544.24 | | XLogP3-AA | 9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 723 | | Topological Polar Surface Area (A^2) | 27.7 | | Heavy Atom Count | 35 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5469209 | | Predicted Log 10(IC50) values | 2.8696071 | | 2D Structure |  |
Record No:220
|
| DB_ACCESS_NUMBER | PPIM0842 | | CID | 349006 | | CHEMBL_ID | | | NSC_ID | NSC408551 | | PDB_CODE | | | Molecular Weight (g/mol) | 440.17 | | XLogP3-AA | 8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 3 | | Complexity | 371 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0219793 | | Predicted Log 10(IC50) values | 3.5500207 | | 2D Structure |  |
Record No:221
|
| DB_ACCESS_NUMBER | PPIM0843 | | CID | 349812 | | CHEMBL_ID | | | NSC_ID | NSC409661 | | PDB_CODE | | | Molecular Weight (g/mol) | 544.24 | | XLogP3-AA | 9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 723 | | Topological Polar Surface Area (A^2) | 27.7 | | Heavy Atom Count | 35 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5469209 | | Predicted Log 10(IC50) values | 2.8696071 | | 2D Structure |  |
Record No:222
|
| DB_ACCESS_NUMBER | PPIM0844 | | CID | 349834 | | CHEMBL_ID | | | NSC_ID | NSC409685 | | PDB_CODE | | | Molecular Weight (g/mol) | 419.07 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 533 | | Topological Polar Surface Area (A^2) | 38.7 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0729264 | | Predicted Log 10(IC50) values | 3.0366276 | | 2D Structure |  |
Record No:223
|
| DB_ACCESS_NUMBER | PPIM0845 | | CID | 351391 | | CHEMBL_ID | | | NSC_ID | NSC521550 | | PDB_CODE | | | Molecular Weight (g/mol) | 441.89 | | XLogP3-AA | 1.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 651 | | Topological Polar Surface Area (A^2) | 74.7 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2840759 | | Predicted Log 10(IC50) values | 4.2180314 | | 2D Structure |  |
Record No:224
|
| DB_ACCESS_NUMBER | PPIM0846 | | CID | 351612 | | CHEMBL_ID | | | NSC_ID | NSC522436 | | PDB_CODE | | | Molecular Weight (g/mol) | 303.21 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 3 | | Complexity | 180 | | Topological Polar Surface Area (A^2) | 159 | | Heavy Atom Count | 14 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9328985 | | Predicted Log 10(IC50) values | 3.3288473 | | 2D Structure |  |
Record No:225
|
| DB_ACCESS_NUMBER | PPIM0847 | | CID | 351813 | | CHEMBL_ID | | | NSC_ID | NSC523352 | | PDB_CODE | | | Molecular Weight (g/mol) | 280.58 | | XLogP3-AA | 3.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 0 | | Complexity | 105 | | Topological Polar Surface Area (A^2) | 115 | | Heavy Atom Count | 12 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.8790652 | | Predicted Log 10(IC50) values | 3.0006571 | | 2D Structure |  |
Record No:226
|
| DB_ACCESS_NUMBER | PPIM0848 | | CID | 352818 | | CHEMBL_ID | | | NSC_ID | NSC528187 | | PDB_CODE | | | Molecular Weight (g/mol) | 694.65 | | XLogP3-AA | 1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 19 | | Rotatable Bond Count | 20 | | Complexity | 1110 | | Topological Polar Surface Area (A^2) | 254 | | Heavy Atom Count | 47 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.7772369 | | Predicted Log 10(IC50) values | 3.0124169 | | 2D Structure |  |
Record No:227
|
| DB_ACCESS_NUMBER | PPIM0849 | | CID | 353833 | | CHEMBL_ID | CHEMBL1993799 | | NSC_ID | NSC603085 | | PDB_CODE | | | Molecular Weight (g/mol) | 387.97 | | XLogP3-AA | 2.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 4 | | Complexity | 589 | | Topological Polar Surface Area (A^2) | 71.1 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9336908 | | Predicted Log 10(IC50) values | 3.9763368 | | 2D Structure |  |
Record No:228
|
| DB_ACCESS_NUMBER | PPIM0850 | | CID | 354462 | | CHEMBL_ID | | | NSC_ID | NSC606420 | | PDB_CODE | | | Molecular Weight (g/mol) | 398.64 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 556 | | Topological Polar Surface Area (A^2) | 57.8 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.967847 | | Predicted Log 10(IC50) values | 2.8301968 | | 2D Structure |  |
Record No:229
|
| DB_ACCESS_NUMBER | PPIM0851 | | CID | 354850 | | CHEMBL_ID | | | NSC_ID | NSC607539 | | PDB_CODE | | | Molecular Weight (g/mol) | 387.32 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 540 | | Topological Polar Surface Area (A^2) | 25.2 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9815909 | | Predicted Log 10(IC50) values | 3.5282189 | | 2D Structure |  |
Record No:230
|
| DB_ACCESS_NUMBER | PPIM0852 | | CID | 355098 | | CHEMBL_ID | | | NSC_ID | NSC608086 | | PDB_CODE | | | Molecular Weight (g/mol) | 312.45 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 10 | | Complexity | 240 | | Topological Polar Surface Area (A^2) | 132 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4780099 | | Predicted Log 10(IC50) values | 3.5778515 | | 2D Structure |  |
Record No:231
|
| DB_ACCESS_NUMBER | PPIM0853 | | CID | 356217 | | CHEMBL_ID | | | NSC_ID | NSC611362 | | PDB_CODE | | | Molecular Weight (g/mol) | 398.60 | | XLogP3-AA | 5.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 0 | | Complexity | 377 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2924081 | | Predicted Log 10(IC50) values | 3.7827159 | | 2D Structure |  |
Record No:232
|
| DB_ACCESS_NUMBER | PPIM0854 | | CID | 3562869 | | CHEMBL_ID | | | NSC_ID | NSC726539 | | PDB_CODE | | | Molecular Weight (g/mol) | 425.2 | | XLogP3-AA | 6.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 5 | | Complexity | 305 | | Topological Polar Surface Area (A^2) | 143 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0788414 | | Predicted Log 10(IC50) values | 3.0591047 | | 2D Structure |  |
Record No:233
|
| DB_ACCESS_NUMBER | PPIM0855 | | CID | 356701 | | CHEMBL_ID | | | NSC_ID | NSC613589 | | PDB_CODE | | | Molecular Weight (g/mol) | 422.32 | | XLogP3-AA | -1.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 743 | | Topological Polar Surface Area (A^2) | 103 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1308944 | | Predicted Log 10(IC50) values | 4.4711739 | | 2D Structure |  |
Record No:234
|
| DB_ACCESS_NUMBER | PPIM0856 | | CID | 356718 | | CHEMBL_ID | CHEMBL1994652 | | NSC_ID | NSC613609 | | PDB_CODE | | | Molecular Weight (g/mol) | 603.88 | | XLogP3-AA | 6.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 720 | | Topological Polar Surface Area (A^2) | 46.5 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9237529 | | Predicted Log 10(IC50) values | 3.1659862 | | 2D Structure |  |
Record No:235
|
| DB_ACCESS_NUMBER | PPIM0857 | | CID | 357095 | | CHEMBL_ID | | | NSC_ID | NSC614916 | | PDB_CODE | | | Molecular Weight (g/mol) | 309.33 | | XLogP3-AA | 0.6 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 4 | | Complexity | 769 | | Topological Polar Surface Area (A^2) | 135 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9066873 | | Predicted Log 10(IC50) values | 4.7953299 | | 2D Structure |  |
Record No:236
|
| DB_ACCESS_NUMBER | PPIM0858 | | CID | 357606 | | CHEMBL_ID | CHEMBL1965023 | | NSC_ID | NSC617129 | | PDB_CODE | | | Molecular Weight (g/mol) | 389.27 | | XLogP3-AA | 5.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 534 | | Topological Polar Surface Area (A^2) | 35.5 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9996531 | | Predicted Log 10(IC50) values | 3.1413728 | | 2D Structure |  |
Record No:237
|
| DB_ACCESS_NUMBER | PPIM0859 | | CID | 361146 | | CHEMBL_ID | CHEMBL1974826 | | NSC_ID | NSC623978 | | PDB_CODE | | | Molecular Weight (g/mol) | 534.43 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 5 | | Complexity | 878 | | Topological Polar Surface Area (A^2) | 97.5 | | Heavy Atom Count | 32 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1872941 | | Predicted Log 10(IC50) values | 2.0263115 | | 2D Structure |  |
Record No:238
|
| DB_ACCESS_NUMBER | PPIM0860 | | CID | 361191 | | CHEMBL_ID | CHEMBL1965181 | | NSC_ID | NSC624153 | | PDB_CODE | | | Molecular Weight (g/mol) | 398.61 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 9 | | Complexity | 297 | | Topological Polar Surface Area (A^2) | 142 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2020141 | | Predicted Log 10(IC50) values | 3.0475589 | | 2D Structure |  |
Record No:239
|
| DB_ACCESS_NUMBER | PPIM0861 | | CID | 363236 | | CHEMBL_ID | CHEMBL53367 | | NSC_ID | NSC627982 | | PDB_CODE | | | Molecular Weight (g/mol) | 383.20 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 632 | | Topological Polar Surface Area (A^2) | 65.3 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0093822 | | Predicted Log 10(IC50) values | 4.9854257 | | 2D Structure |  |
Record No:240
|
| DB_ACCESS_NUMBER | PPIM0862 | | CID | 363237 | | CHEMBL_ID | CHEMBL52622 | | NSC_ID | NSC627983 | | PDB_CODE | | | Molecular Weight (g/mol) | 383.20 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 624 | | Topological Polar Surface Area (A^2) | 65.3 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0629448 | | Predicted Log 10(IC50) values | 4.8544557 | | 2D Structure |  |
Record No:241
|
| DB_ACCESS_NUMBER | PPIM0863 | | CID | 363284 | | CHEMBL_ID | | | NSC_ID | NSC628065 | | PDB_CODE | | | Molecular Weight (g/mol) | 462.28 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 701 | | Topological Polar Surface Area (A^2) | 62.4 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3708401 | | Predicted Log 10(IC50) values | 4.3783967 | | 2D Structure |  |
Record No:242
|
| DB_ACCESS_NUMBER | PPIM0864 | | CID | 363797 | | CHEMBL_ID | CHEMBL1994010 | | NSC_ID | NSC629011 | | PDB_CODE | | | Molecular Weight (g/mol) | 382.26 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 550 | | Topological Polar Surface Area (A^2) | 56.1 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0032083 | | Predicted Log 10(IC50) values | 3.1540169 | | 2D Structure |  |
Record No:243
|
| DB_ACCESS_NUMBER | PPIM0865 | | CID | 364366 | | CHEMBL_ID | CHEMBL1979605 | | NSC_ID | NSC630425 | | PDB_CODE | | | Molecular Weight (g/mol) | 408.13 | | XLogP3-AA | 2.6 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 531 | | Topological Polar Surface Area (A^2) | 46.5 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5262574 | | Predicted Log 10(IC50) values | 2.8146695 | | 2D Structure |  |
Record No:244
|
| DB_ACCESS_NUMBER | PPIM0866 | | CID | 364634 | | CHEMBL_ID | | | NSC_ID | NSC631169 | | PDB_CODE | | | Molecular Weight (g/mol) | 666.73 | | XLogP3-AA | -0.8 | | Hydrogen Bond Donor Count | 9 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 18 | | Complexity | 1130 | | Topological Polar Surface Area (A^2) | 253 | | Heavy Atom Count | 48 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0104743 | | Predicted Log 10(IC50) values | 3.0974504 | | 2D Structure |  |
Record No:245
|
| DB_ACCESS_NUMBER | PPIM0867 | | CID | 3677007 | | CHEMBL_ID | | | NSC_ID | NSC332570 | | PDB_CODE | | | Molecular Weight (g/mol) | 350.33 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 10 | | Complexity | 237 | | Topological Polar Surface Area (A^2) | 127 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4977306 | | Predicted Log 10(IC50) values | 3.2145254 | | 2D Structure |  |
Record No:246
|
| DB_ACCESS_NUMBER | PPIM0868 | | CID | 367773 | | CHEMBL_ID | CHEMBL1971085 | | NSC_ID | NSC637712 | | PDB_CODE | | | Molecular Weight (g/mol) | 607.30 | | XLogP3-AA | 6.6 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 6 | | Complexity | 930 | | Topological Polar Surface Area (A^2) | 99.7 | | Heavy Atom Count | 39 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9344645 | | Predicted Log 10(IC50) values | 0.67273366 | | 2D Structure |  |
Record No:247
|
| DB_ACCESS_NUMBER | PPIM0869 | | CID | 367942 | | CHEMBL_ID | CHEMBL1971892 | | NSC_ID | NSC638146 | | PDB_CODE | | | Molecular Weight (g/mol) | 555.88 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 616 | | Topological Polar Surface Area (A^2) | 34.1 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2908801 | | Predicted Log 10(IC50) values | 2.2305308 | | 2D Structure |  |
Record No:248
|
| DB_ACCESS_NUMBER | PPIM0870 | | CID | 369204 | | CHEMBL_ID | CHEMBL1981800 | | NSC_ID | NSC640910 | | PDB_CODE | | | Molecular Weight (g/mol) | 508.14 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 3 | | Complexity | 645 | | Topological Polar Surface Area (A^2) | 44.1 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4714671 | | Predicted Log 10(IC50) values | 1.3483157 | | 2D Structure |  |
Record No:249
|
| DB_ACCESS_NUMBER | PPIM0871 | | CID | 369206 | | CHEMBL_ID | CHEMBL1969265 | | NSC_ID | NSC640912 | | PDB_CODE | | | Molecular Weight (g/mol) | 445.25 | | XLogP3-AA | 0.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 5 | | Complexity | 730 | | Topological Polar Surface Area (A^2) | 94.9 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.297167 | | Predicted Log 10(IC50) values | 4.7094343 | | 2D Structure |  |
Record No:250
|
| DB_ACCESS_NUMBER | PPIM0872 | | CID | 369423 | | CHEMBL_ID | CHEMBL1979199 | | NSC_ID | NSC641193 | | PDB_CODE | | | Molecular Weight (g/mol) | 425.3 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 725 | | Topological Polar Surface Area (A^2) | 75 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1091787 | | Predicted Log 10(IC50) values | 5.0736097 | | 2D Structure |  |
Record No:251
|
| DB_ACCESS_NUMBER | PPIM0873 | | CID | 3706625 | | CHEMBL_ID | | | NSC_ID | NSC14571 | | PDB_CODE | | | Molecular Weight (g/mol) | 326.55 | | XLogP3-AA | 2.2 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 9 | | Complexity | 232 | | Topological Polar Surface Area (A^2) | 145 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | no | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.1677607 | | Predicted Log 10(IC50) values | 3.3438667 | | 2D Structure |  |
Record No:252
|
| DB_ACCESS_NUMBER | PPIM0874 | | CID | 372284 | | CHEMBL_ID | | | NSC_ID | NSC647342 | | PDB_CODE | | | Molecular Weight (g/mol) | 393.27 | | XLogP3-AA | 3.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 542 | | Topological Polar Surface Area (A^2) | 44.8 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2912729 | | Predicted Log 10(IC50) values | 2.9957343 | | 2D Structure |  |
Record No:253
|
| DB_ACCESS_NUMBER | PPIM0875 | | CID | 373051 | | CHEMBL_ID | CHEMBL2000968 | | NSC_ID | NSC648884 | | PDB_CODE | | | Molecular Weight (g/mol) | 406.23 | | XLogP3-AA | 2.6 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 2 | | Complexity | 696 | | Topological Polar Surface Area (A^2) | 81.7 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9859523 | | Predicted Log 10(IC50) values | 5.5193816 | | 2D Structure |  |
Record No:254
|
| DB_ACCESS_NUMBER | PPIM0876 | | CID | 373133 | | CHEMBL_ID | CHEMBL1967709 | | NSC_ID | NSC649075 | | PDB_CODE | | | Molecular Weight (g/mol) | 403.27 | | XLogP3-AA | 3.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 557 | | Topological Polar Surface Area (A^2) | 49.8 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0853535 | | Predicted Log 10(IC50) values | 2.8955925 | | 2D Structure |  |
Record No:255
|
| DB_ACCESS_NUMBER | PPIM0877 | | CID | 373332 | | CHEMBL_ID | CHEMBL2007222 | | NSC_ID | NSC649491 | | PDB_CODE | | | Molecular Weight (g/mol) | 449.09 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 740 | | Topological Polar Surface Area (A^2) | 63.2 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3457012 | | Predicted Log 10(IC50) values | 4.4582232 | | 2D Structure |  |
Record No:256
|
| DB_ACCESS_NUMBER | PPIM0878 | | CID | 373412 | | CHEMBL_ID | CHEMBL1972641 | | NSC_ID | NSC649667 | | PDB_CODE | | | Molecular Weight (g/mol) | 343.95 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 502 | | Topological Polar Surface Area (A^2) | 51.2 | | Heavy Atom Count | 16 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0032279 | | Predicted Log 10(IC50) values | 3.1789707 | | 2D Structure |  |
Record No:257
|
| DB_ACCESS_NUMBER | PPIM0879 | | CID | 373572 | | CHEMBL_ID | CHEMBL1968470 | | NSC_ID | NSC650025 | | PDB_CODE | | | Molecular Weight (g/mol) | 420.64 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 604 | | Topological Polar Surface Area (A^2) | 73.2 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9221363 | | Predicted Log 10(IC50) values | 3.314193 | | 2D Structure |  |
Record No:258
|
| DB_ACCESS_NUMBER | PPIM0880 | | CID | 373602 | | CHEMBL_ID | CHEMBL2003994 | | NSC_ID | NSC650206 | | PDB_CODE | | | Molecular Weight (g/mol) | 665.39 | | XLogP3-AA | 5.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 9 | | Complexity | 905 | | Topological Polar Surface Area (A^2) | 98.4 | | Heavy Atom Count | 38 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.949162 | | Predicted Log 10(IC50) values | 2.952466 | | 2D Structure |  |
Record No:259
|
| DB_ACCESS_NUMBER | PPIM0881 | | CID | 373739 | | CHEMBL_ID | CHEMBL1970007 | | NSC_ID | NSC650638 | | PDB_CODE | | | Molecular Weight (g/mol) | 281.53 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 12 | | Complexity | 110 | | Topological Polar Surface Area (A^2) | 79.1 | | Heavy Atom Count | 16 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9227403 | | Predicted Log 10(IC50) values | 3.0540649 | | 2D Structure |  |
Record No:260
|
| DB_ACCESS_NUMBER | PPIM0882 | | CID | 373771 | | CHEMBL_ID | CHEMBL2004469 | | NSC_ID | NSC650733 | | PDB_CODE | | | Molecular Weight (g/mol) | 605.56 | | XLogP3-AA | 8.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 0 | | Complexity | 718 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1288022 | | Predicted Log 10(IC50) values | 3.7596192 | | 2D Structure |  |
Record No:261
|
| DB_ACCESS_NUMBER | PPIM0883 | | CID | 373836 | | CHEMBL_ID | CHEMBL2002579 | | NSC_ID | NSC650799 | | PDB_CODE | | | Molecular Weight (g/mol) | 254.48 | | XLogP3-AA | 3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 95.8 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 13 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.173502 | | Predicted Log 10(IC50) values | 2.8374218 | | 2D Structure |  |
Record No:262
|
| DB_ACCESS_NUMBER | PPIM0884 | | CID | 373838 | | CHEMBL_ID | CHEMBL1996007 | | NSC_ID | NSC650801 | | PDB_CODE | | | Molecular Weight (g/mol) | 300.57 | | XLogP3-AA | 3.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 86.2 | | Topological Polar Surface Area (A^2) | 127 | | Heavy Atom Count | 15 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2156065 | | Predicted Log 10(IC50) values | 2.9551541 | | 2D Structure |  |
Record No:263
|
| DB_ACCESS_NUMBER | PPIM0885 | | CID | 373840 | | CHEMBL_ID | CHEMBL2000717 | | NSC_ID | NSC650803 | | PDB_CODE | | | Molecular Weight (g/mol) | 284.50 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 131 | | Topological Polar Surface Area (A^2) | 121 | | Heavy Atom Count | 15 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5301743 | | Predicted Log 10(IC50) values | 3.185979 | | 2D Structure |  |
Record No:264
|
| DB_ACCESS_NUMBER | PPIM0886 | | CID | 373841 | | CHEMBL_ID | CHEMBL1981852 | | NSC_ID | NSC650804 | | PDB_CODE | | | Molecular Weight (g/mol) | 298.53 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 141 | | Topological Polar Surface Area (A^2) | 121 | | Heavy Atom Count | 16 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2098705 | | Predicted Log 10(IC50) values | 3.248294 | | 2D Structure |  |
Record No:265
|
| DB_ACCESS_NUMBER | PPIM0887 | | CID | 373843 | | CHEMBL_ID | CHEMBL1982464 | | NSC_ID | NSC650806 | | PDB_CODE | | | Molecular Weight (g/mol) | 282.53 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 116 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 15 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4500079 | | Predicted Log 10(IC50) values | 3.0877619 | | 2D Structure |  |
Record No:266
|
| DB_ACCESS_NUMBER | PPIM0888 | | CID | 374205 | | CHEMBL_ID | CHEMBL1990561 | | NSC_ID | NSC651695 | | PDB_CODE | | | Molecular Weight (g/mol) | 378.47 | | XLogP3-AA | 3.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 2 | | Complexity | 531 | | Topological Polar Surface Area (A^2) | 42.8 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9056263 | | Predicted Log 10(IC50) values | 3.0920012 | | 2D Structure |  |
Record No:267
|
| DB_ACCESS_NUMBER | PPIM0889 | | CID | 374305 | | CHEMBL_ID | CHEMBL1970589 | | NSC_ID | NSC651834 | | PDB_CODE | | | Molecular Weight (g/mol) | 396.19 | | XLogP3-AA | 3.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 1 | | Complexity | 631 | | Topological Polar Surface Area (A^2) | 69.1 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.977163 | | Predicted Log 10(IC50) values | 4.7113545 | | 2D Structure |  |
Record No:268
|
| DB_ACCESS_NUMBER | PPIM0890 | | CID | 375824 | | CHEMBL_ID | CHEMBL1966868 | | NSC_ID | NSC656072 | | PDB_CODE | | | Molecular Weight (g/mol) | 379.27 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 0 | | Complexity | 636 | | Topological Polar Surface Area (A^2) | 66 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9488054 | | Predicted Log 10(IC50) values | 4.9901952 | | 2D Structure |  |
Record No:269
|
| DB_ACCESS_NUMBER | PPIM0891 | | CID | 375900 | | CHEMBL_ID | CHEMBL1997365 | | NSC_ID | NSC656211 | | PDB_CODE | | | Molecular Weight (g/mol) | 499.17 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 2 | | Complexity | 794 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3782327 | | Predicted Log 10(IC50) values | 3.5014922 | | 2D Structure |  |
Record No:270
|
| DB_ACCESS_NUMBER | PPIM0892 | | CID | 377195 | | CHEMBL_ID | CHEMBL1991632 | | NSC_ID | NSC658422 | | PDB_CODE | | | Molecular Weight (g/mol) | 694.65 | | XLogP3-AA | 0.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 19 | | Rotatable Bond Count | 20 | | Complexity | 1110 | | Topological Polar Surface Area (A^2) | 254 | | Heavy Atom Count | 47 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.8057339 | | Predicted Log 10(IC50) values | 3.011894 | | 2D Structure |  |
Record No:271
|
| DB_ACCESS_NUMBER | PPIM0893 | | CID | 379824 | | CHEMBL_ID | CHEMBL2001250 | | NSC_ID | NSC664954 | | PDB_CODE | | | Molecular Weight (g/mol) | 527.12 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 6 | | Complexity | 755 | | Topological Polar Surface Area (A^2) | 58.2 | | Heavy Atom Count | 29 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9816878 | | Predicted Log 10(IC50) values | 4.2894734 | | 2D Structure |  |
Record No:272
|
| DB_ACCESS_NUMBER | PPIM0894 | | CID | 380064 | | CHEMBL_ID | | | NSC_ID | NSC665365 | | PDB_CODE | | | Molecular Weight (g/mol) | 558.81 | | XLogP3-AA | 6.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 9 | | Complexity | 699 | | Topological Polar Surface Area (A^2) | 13 | | Heavy Atom Count | 42 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3137131 | | Predicted Log 10(IC50) values | 2.2658207 | | 2D Structure |  |
Record No:273
|
| DB_ACCESS_NUMBER | PPIM0895 | | CID | 380480 | | CHEMBL_ID | CHEMBL1981321 | | NSC_ID | NSC666080 | | PDB_CODE | | | Molecular Weight (g/mol) | 368.55 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 0 | | Complexity | 265 | | Topological Polar Surface Area (A^2) | 153 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.2722753 | | Predicted Log 10(IC50) values | 3.0200863 | | 2D Structure |  |
Record No:274
|
| DB_ACCESS_NUMBER | PPIM0896 | | CID | 380876 | | CHEMBL_ID | CHEMBL1988406 | | NSC_ID | NSC666660 | | PDB_CODE | | | Molecular Weight (g/mol) | 389.24 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 3 | | Complexity | 524 | | Topological Polar Surface Area (A^2) | 26.3 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1180617 | | Predicted Log 10(IC50) values | 3.4682401 | | 2D Structure |  |
Record No:275
|
| DB_ACCESS_NUMBER | PPIM0897 | | CID | 381004 | | CHEMBL_ID | CHEMBL1988837 | | NSC_ID | NSC666981 | | PDB_CODE | | | Molecular Weight (g/mol) | 387.25 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 3 | | Complexity | 521 | | Topological Polar Surface Area (A^2) | 46.5 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2152369 | | Predicted Log 10(IC50) values | 2.8401785 | | 2D Structure |  |
Record No:276
|
| DB_ACCESS_NUMBER | PPIM0898 | | CID | 381503 | | CHEMBL_ID | CHEMBL1982409 | | NSC_ID | NSC668259 | | PDB_CODE | | | Molecular Weight (g/mol) | 456.09 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 640 | | Topological Polar Surface Area (A^2) | 75.7 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.034082 | | Predicted Log 10(IC50) values | 3.1282386 | | 2D Structure |  |
Record No:277
|
| DB_ACCESS_NUMBER | PPIM0899 | | CID | 381611 | | CHEMBL_ID | CHEMBL1970113 | | NSC_ID | NSC668424 | | PDB_CODE | | | Molecular Weight (g/mol) | 737.80 | | XLogP3-AA | 2.1 | | Hydrogen Bond Donor Count | 5 | | Hydrogen Bond Acceptor Count | 13 | | Rotatable Bond Count | 26 | | Complexity | 1200 | | Topological Polar Surface Area (A^2) | 243 | | Heavy Atom Count | 52 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0066781 | | Predicted Log 10(IC50) values | 1.9663401 | | 2D Structure |  |
Record No:278
|
| DB_ACCESS_NUMBER | PPIM0900 | | CID | 381612 | | CHEMBL_ID | CHEMBL2004617 | | NSC_ID | NSC668425 | | PDB_CODE | | | Molecular Weight (g/mol) | 680.71 | | XLogP3-AA | 1.5 | | Hydrogen Bond Donor Count | 5 | | Hydrogen Bond Acceptor Count | 12 | | Rotatable Bond Count | 20 | | Complexity | 1140 | | Topological Polar Surface Area (A^2) | 253 | | Heavy Atom Count | 48 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0975017 | | Predicted Log 10(IC50) values | 3.0164161 | | 2D Structure |  |
Record No:279
|
| DB_ACCESS_NUMBER | PPIM0901 | | CID | 381797 | | CHEMBL_ID | CHEMBL1967728 | | NSC_ID | NSC668875 | | PDB_CODE | | | Molecular Weight (g/mol) | 739.82 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 11 | | Rotatable Bond Count | 24 | | Complexity | 1210 | | Topological Polar Surface Area (A^2) | 208 | | Heavy Atom Count | 53 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9058183 | | Predicted Log 10(IC50) values | 0.76897427 | | 2D Structure |  |
Record No:280
|
| DB_ACCESS_NUMBER | PPIM0902 | | CID | 382107 | | CHEMBL_ID | CHEMBL1986583 | | NSC_ID | NSC669471 | | PDB_CODE | | | Molecular Weight (g/mol) | 452.50 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 0 | | Complexity | 750 | | Topological Polar Surface Area (A^2) | 81.2 | | Heavy Atom Count | 32 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.908337 | | Predicted Log 10(IC50) values | 4.305574 | | 2D Structure |  |
Record No:281
|
| DB_ACCESS_NUMBER | PPIM0903 | | CID | 382201 | | CHEMBL_ID | CHEMBL1992885 | | NSC_ID | NSC669661 | | PDB_CODE | | | Molecular Weight (g/mol) | 692.76 | | XLogP3-AA | 1.1 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 12 | | Rotatable Bond Count | 24 | | Complexity | 1160 | | Topological Polar Surface Area (A^2) | 222 | | Heavy Atom Count | 49 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2803216 | | Predicted Log 10(IC50) values | 2.0887957 | | 2D Structure |  |
Record No:282
|
| DB_ACCESS_NUMBER | PPIM0904 | | CID | 382434 | | CHEMBL_ID | CHEMBL1985652 | | NSC_ID | NSC669999 | | PDB_CODE | | | Molecular Weight (g/mol) | 385.21 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 564 | | Topological Polar Surface Area (A^2) | 52.6 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1950074 | | Predicted Log 10(IC50) values | 3.4057808 | | 2D Structure |  |
Record No:283
|
| DB_ACCESS_NUMBER | PPIM0905 | | CID | 383051 | | CHEMBL_ID | CHEMBL1994482 | | NSC_ID | NSC671095 | | PDB_CODE | | | Molecular Weight (g/mol) | 450.08 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 744 | | Topological Polar Surface Area (A^2) | 76.1 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5553442 | | Predicted Log 10(IC50) values | 4.4711234 | | 2D Structure |  |
Record No:284
|
| DB_ACCESS_NUMBER | PPIM0906 | | CID | 383339 | | CHEMBL_ID | CHEMBL1976702 | | NSC_ID | NSC671453 | | PDB_CODE | | | Molecular Weight (g/mol) | 371.43 | | XLogP3-AA | 2.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 1 | | Complexity | 595 | | Topological Polar Surface Area (A^2) | 59 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9513603 | | Predicted Log 10(IC50) values | 4.5043115 | | 2D Structure |  |
Record No:285
|
| DB_ACCESS_NUMBER | PPIM0907 | | CID | 383845 | | CHEMBL_ID | CHEMBL1991520 | | NSC_ID | NSC672556 | | PDB_CODE | | | Molecular Weight (g/mol) | 450.08 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 744 | | Topological Polar Surface Area (A^2) | 76.1 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5553442 | | Predicted Log 10(IC50) values | 4.4711234 | | 2D Structure |  |
Record No:286
|
| DB_ACCESS_NUMBER | PPIM0908 | | CID | 384711 | | CHEMBL_ID | CHEMBL1990361 | | NSC_ID | NSC674947 | | PDB_CODE | | | Molecular Weight (g/mol) | 528.32 | | XLogP3-AA | 8.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 1 | | Rotatable Bond Count | 2 | | Complexity | 652 | | Topological Polar Surface Area (A^2) | 17.1 | | Heavy Atom Count | 30 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2199236 | | Predicted Log 10(IC50) values | 1.5891243 | | 2D Structure |  |
Record No:287
|
| DB_ACCESS_NUMBER | PPIM0909 | | CID | 384881 | | CHEMBL_ID | CHEMBL1975177 | | NSC_ID | NSC675477 | | PDB_CODE | | | Molecular Weight (g/mol) | 366.21 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 550 | | Topological Polar Surface Area (A^2) | 48.5 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0936312 | | Predicted Log 10(IC50) values | 3.7176259 | | 2D Structure |  |
Record No:288
|
| DB_ACCESS_NUMBER | PPIM0910 | | CID | 385403 | | CHEMBL_ID | CHEMBL1890391 | | NSC_ID | NSC676578 | | PDB_CODE | | | Molecular Weight (g/mol) | 495.34 | | XLogP3-AA | 3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 5 | | Complexity | 796 | | Topological Polar Surface Area (A^2) | 102 | | Heavy Atom Count | 30 | | Defined Atom Stereocenter Count | 3 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0231313 | | Predicted Log 10(IC50) values | 2.9556696 | | 2D Structure |  |
Record No:289
|
| DB_ACCESS_NUMBER | PPIM0911 | | CID | 387756 | | CHEMBL_ID | CHEMBL1987265 | | NSC_ID | NSC681785 | | PDB_CODE | | | Molecular Weight (g/mol) | 338.32 | | XLogP3-AA | 0.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 4 | | Complexity | 779 | | Topological Polar Surface Area (A^2) | 144 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2695979 | | Predicted Log 10(IC50) values | 4.3462795 | | 2D Structure |  |
Record No:290
|
| DB_ACCESS_NUMBER | PPIM0912 | | CID | 387780 | | CHEMBL_ID | CHEMBL1981397 | | NSC_ID | NSC681853 | | PDB_CODE | | | Molecular Weight (g/mol) | 315.33 | | XLogP3-AA | -0.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 2 | | Complexity | 775 | | Topological Polar Surface Area (A^2) | 132 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1287205 | | Predicted Log 10(IC50) values | 4.6515273 | | 2D Structure |  |
Record No:291
|
| DB_ACCESS_NUMBER | PPIM0913 | | CID | 388208 | | CHEMBL_ID | CHEMBL1966456 | | NSC_ID | NSC682802 | | PDB_CODE | | | Molecular Weight (g/mol) | 495.39 | | XLogP3-AA | 0 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 12 | | Rotatable Bond Count | 4 | | Complexity | 787 | | Topological Polar Surface Area (A^2) | 95.3 | | Heavy Atom Count | 31 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2764366 | | Predicted Log 10(IC50) values | 3.7667254 | | 2D Structure |  |
Record No:292
|
| DB_ACCESS_NUMBER | PPIM0914 | | CID | 388286 | | CHEMBL_ID | CHEMBL1981831 | | NSC_ID | NSC682927 | | PDB_CODE | | | Molecular Weight (g/mol) | 334.33 | | XLogP3-AA | 0.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 2 | | Complexity | 800 | | Topological Polar Surface Area (A^2) | 135 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0780583 | | Predicted Log 10(IC50) values | 3.9035082 | | 2D Structure |  |
Record No:293
|
| DB_ACCESS_NUMBER | PPIM0915 | | CID | 389884 | | CHEMBL_ID | CHEMBL2003572 | | NSC_ID | NSC686512 | | PDB_CODE | | | Molecular Weight (g/mol) | 526.49 | | XLogP3-AA | 8.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 9 | | Complexity | 697 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 37 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.738187 | | Predicted Log 10(IC50) values | 2.4464971 | | 2D Structure |  |
Record No:294
|
| DB_ACCESS_NUMBER | PPIM0916 | | CID | 390675 | | CHEMBL_ID | CHEMBL1980979 | | NSC_ID | NSC688307 | | PDB_CODE | | | Molecular Weight (g/mol) | 373.14 | | XLogP3-AA | 0.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 568 | | Topological Polar Surface Area (A^2) | 66.8 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 1 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3514163 | | Predicted Log 10(IC50) values | 4.1236666 | | 2D Structure |  |
Record No:295
|
| DB_ACCESS_NUMBER | PPIM0917 | | CID | 392195 | | CHEMBL_ID | CHEMBL1995963 | | NSC_ID | NSC692328 | | PDB_CODE | | | Molecular Weight (g/mol) | 416.23 | | XLogP3-AA | 1.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 677 | | Topological Polar Surface Area (A^2) | 78.8 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.053054 | | Predicted Log 10(IC50) values | 5.515537 | | 2D Structure |  |
Record No:296
|
| DB_ACCESS_NUMBER | PPIM0918 | | CID | 392196 | | CHEMBL_ID | CHEMBL1964509 | | NSC_ID | NSC692329 | | PDB_CODE | | | Molecular Weight (g/mol) | 459.30 | | XLogP3-AA | 1.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 5 | | Complexity | 725 | | Topological Polar Surface Area (A^2) | 90.8 | | Heavy Atom Count | 29 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9006673 | | Predicted Log 10(IC50) values | 4.5327796 | | 2D Structure |  |
Record No:297
|
| DB_ACCESS_NUMBER | PPIM0919 | | CID | 392957 | | CHEMBL_ID | CHEMBL1995208 | | NSC_ID | NSC694171 | | PDB_CODE | | | Molecular Weight (g/mol) | 366.68 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 529 | | Topological Polar Surface Area (A^2) | 45.8 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 1 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2102789 | | Predicted Log 10(IC50) values | 3.3587182 | | 2D Structure |  |
Record No:298
|
| DB_ACCESS_NUMBER | PPIM0920 | | CID | 393054 | | CHEMBL_ID | CHEMBL2002519 | | NSC_ID | NSC694338 | | PDB_CODE | | | Molecular Weight (g/mol) | 377.36 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 2 | | Complexity | 537 | | Topological Polar Surface Area (A^2) | 44.8 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9785914 | | Predicted Log 10(IC50) values | 3.1496273 | | 2D Structure |  |
Record No:299
|
| DB_ACCESS_NUMBER | PPIM0921 | | CID | 393056 | | CHEMBL_ID | CHEMBL2003673 | | NSC_ID | NSC694340 | | PDB_CODE | | | Molecular Weight (g/mol) | 376.38 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 2 | | Complexity | 536 | | Topological Polar Surface Area (A^2) | 47.6 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9423821 | | Predicted Log 10(IC50) values | 3.0973514 | | 2D Structure |  |
Record No:300
|
| DB_ACCESS_NUMBER | PPIM0922 | | CID | 394333 | | CHEMBL_ID | CHEMBL1966734 | | NSC_ID | NSC697702 | | PDB_CODE | | | Molecular Weight (g/mol) | 321.34 | | XLogP3-AA | 0.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 1 | | Complexity | 781 | | Topological Polar Surface Area (A^2) | 128 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.097095 | | Predicted Log 10(IC50) values | 4.4533061 | | 2D Structure |  |
Record No:301
|
| DB_ACCESS_NUMBER | PPIM0923 | | CID | 395325 | | CHEMBL_ID | CHEMBL1980412 | | NSC_ID | NSC699807 | | PDB_CODE | | | Molecular Weight (g/mol) | 381.36 | | XLogP3-AA | 5.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 2 | | Complexity | 523 | | Topological Polar Surface Area (A^2) | 32.3 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 2 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9200983 | | Predicted Log 10(IC50) values | 3.2847127 | | 2D Structure |  |
Record No:302
|
| DB_ACCESS_NUMBER | PPIM0924 | | CID | 395328 | | CHEMBL_ID | CHEMBL1985355 | | NSC_ID | NSC699810 | | PDB_CODE | | | Molecular Weight (g/mol) | 520.58 | | XLogP3-AA | 3.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 9 | | Complexity | 841 | | Topological Polar Surface Area (A^2) | 93.2 | | Heavy Atom Count | 34 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9526344 | | Predicted Log 10(IC50) values | 2.6298406 | | 2D Structure |  |
Record No:303
|
| DB_ACCESS_NUMBER | PPIM0925 | | CID | 395441 | | CHEMBL_ID | CHEMBL1984427 | | NSC_ID | NSC699986 | | PDB_CODE | | | Molecular Weight (g/mol) | 473.31 | | XLogP3-AA | 2.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 3 | | Complexity | 727 | | Topological Polar Surface Area (A^2) | 56.3 | | Heavy Atom Count | 29 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0930142 | | Predicted Log 10(IC50) values | 4.0760519 | | 2D Structure |  |
Record No:304
|
| DB_ACCESS_NUMBER | PPIM0926 | | CID | 395444 | | CHEMBL_ID | CHEMBL2001255 | | NSC_ID | NSC699989 | | PDB_CODE | | | Molecular Weight (g/mol) | 473.31 | | XLogP3-AA | 2.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 3 | | Complexity | 735 | | Topological Polar Surface Area (A^2) | 56.3 | | Heavy Atom Count | 29 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0758534 | | Predicted Log 10(IC50) values | 4.0830644 | | 2D Structure |  |
Record No:305
|
| DB_ACCESS_NUMBER | PPIM0927 | | CID | 395677 | | CHEMBL_ID | CHEMBL1975741 | | NSC_ID | NSC700459 | | PDB_CODE | | | Molecular Weight (g/mol) | 330.34 | | XLogP3-AA | -1.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 3 | | Complexity | 810 | | Topological Polar Surface Area (A^2) | 137 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0405613 | | Predicted Log 10(IC50) values | 3.700785 | | 2D Structure |  |
Record No:306
|
| DB_ACCESS_NUMBER | PPIM0928 | | CID | 396571 | | CHEMBL_ID | CHEMBL100309 | | NSC_ID | NSC703054 | | PDB_CODE | | | Molecular Weight (g/mol) | 395.17 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 515 | | Topological Polar Surface Area (A^2) | 44.9 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9844447 | | Predicted Log 10(IC50) values | 2.7265458 | | 2D Structure |  |
Record No:307
|
| DB_ACCESS_NUMBER | PPIM0929 | | CID | 397481 | | CHEMBL_ID | CHEMBL1978006 | | NSC_ID | NSC705340 | | PDB_CODE | | | Molecular Weight (g/mol) | 709.67 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 7 | | Hydrogen Bond Acceptor Count | 15 | | Rotatable Bond Count | 16 | | Complexity | 1130 | | Topological Polar Surface Area (A^2) | 264 | | Heavy Atom Count | 50 | | Defined Atom Stereocenter Count | 1 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3541198 | | Predicted Log 10(IC50) values | 3.07538 | | 2D Structure |  |
Record No:308
|
| DB_ACCESS_NUMBER | PPIM0930 | | CID | 399517 | | CHEMBL_ID | | | NSC_ID | NSC710380 | | PDB_CODE | | | Molecular Weight (g/mol) | 535.43 | | XLogP3-AA | 2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 6 | | Complexity | 901 | | Topological Polar Surface Area (A^2) | 88.5 | | Heavy Atom Count | 34 | | Defined Atom Stereocenter Count | 6 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9302162 | | Predicted Log 10(IC50) values | 2.172997 | | 2D Structure |  |
Record No:309
|
| DB_ACCESS_NUMBER | PPIM0931 | | CID | 399521 | | CHEMBL_ID | CHEMBL1995153 | | NSC_ID | NSC710384 | | PDB_CODE | | | Molecular Weight (g/mol) | 493.40 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 3 | | Complexity | 800 | | Topological Polar Surface Area (A^2) | 111 | | Heavy Atom Count | 31 | | Defined Atom Stereocenter Count | 6 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9482727 | | Predicted Log 10(IC50) values | 2.2428793 | | 2D Structure |  |
Record No:310
|
| DB_ACCESS_NUMBER | PPIM0932 | | CID | 399739 | | CHEMBL_ID | CHEMBL1973791 | | NSC_ID | NSC710834 | | PDB_CODE | | | Molecular Weight (g/mol) | 517.62 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 633 | | Topological Polar Surface Area (A^2) | 40 | | Heavy Atom Count | 29 | | Defined Atom Stereocenter Count | 7 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9311358 | | Predicted Log 10(IC50) values | 1.2101294 | | 2D Structure |  |
Record No:311
|
| DB_ACCESS_NUMBER | PPIM0933 | | CID | 399908 | | CHEMBL_ID | | | NSC_ID | NSC711043 | | PDB_CODE | | | Molecular Weight (g/mol) | 432.31 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 696 | | Topological Polar Surface Area (A^2) | 55.8 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9990198 | | Predicted Log 10(IC50) values | 5.5429524 | | 2D Structure |  |
Record No:312
|
| DB_ACCESS_NUMBER | PPIM0934 | | CID | 400485 | | CHEMBL_ID | CHEMBL1981233 | | NSC_ID | NSC712299 | | PDB_CODE | | | Molecular Weight (g/mol) | 375.63 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 566 | | Topological Polar Surface Area (A^2) | 59.5 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 3 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0022935 | | Predicted Log 10(IC50) values | 3.8660028 | | 2D Structure |  |
Record No:313
|
| DB_ACCESS_NUMBER | PPIM0935 | | CID | 400486 | | CHEMBL_ID | CHEMBL1979296 | | NSC_ID | NSC712300 | | PDB_CODE | | | Molecular Weight (g/mol) | 375.63 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 566 | | Topological Polar Surface Area (A^2) | 59.5 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 3 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0022935 | | Predicted Log 10(IC50) values | 3.8660028 | | 2D Structure |  |
Record No:314
|
| DB_ACCESS_NUMBER | PPIM0936 | | CID | 400634 | | CHEMBL_ID | CHEMBL1726134 | | NSC_ID | NSC712821 | | PDB_CODE | | | Molecular Weight (g/mol) | 458.03 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 1 | | Rotatable Bond Count | 0 | | Complexity | 384 | | Topological Polar Surface Area (A^2) | 17.1 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0969859 | | Predicted Log 10(IC50) values | 3.7086962 | | 2D Structure |  |
Record No:315
|
| DB_ACCESS_NUMBER | PPIM0937 | | CID | 400755 | | CHEMBL_ID | | | NSC_ID | NSC713186 | | PDB_CODE | | | Molecular Weight (g/mol) | 343.14 | | XLogP3-AA | 0.4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 3 | | Complexity | 757 | | Topological Polar Surface Area (A^2) | 125 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9020063 | | Predicted Log 10(IC50) values | 4.7042544 | | 2D Structure |  |
Record No:316
|
| DB_ACCESS_NUMBER | PPIM0938 | | CID | 401228 | | CHEMBL_ID | CHEMBL1980049 | | NSC_ID | NSC714435 | | PDB_CODE | | | Molecular Weight (g/mol) | 592.34 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 7 | | Complexity | 956 | | Topological Polar Surface Area (A^2) | 92.7 | | Heavy Atom Count | 38 | | Defined Atom Stereocenter Count | 2 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9271445 | | Predicted Log 10(IC50) values | 0.63364248 | | 2D Structure |  |
Record No:317
|
| DB_ACCESS_NUMBER | PPIM0939 | | CID | 401614 | | CHEMBL_ID | | | NSC_ID | NSC715310 | | PDB_CODE | | | Molecular Weight (g/mol) | 457.32 | | XLogP3-AA | 0.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 3 | | Complexity | 707 | | Topological Polar Surface Area (A^2) | 86.7 | | Heavy Atom Count | 29 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.040502 | | Predicted Log 10(IC50) values | 4.5179541 | | 2D Structure |  |
Record No:318
|
| DB_ACCESS_NUMBER | PPIM0940 | | CID | 401622 | | CHEMBL_ID | | | NSC_ID | NSC715318 | | PDB_CODE | | | Molecular Weight (g/mol) | 505.79 | | XLogP3-AA | 1.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 4 | | Complexity | 764 | | Topological Polar Surface Area (A^2) | 86.7 | | Heavy Atom Count | 31 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0852997 | | Predicted Log 10(IC50) values | 4.4118837 | | 2D Structure |  |
Record No:319
|
| DB_ACCESS_NUMBER | PPIM0941 | | CID | 401791 | | CHEMBL_ID | | | NSC_ID | NSC715521 | | PDB_CODE | | | Molecular Weight (g/mol) | 434.33 | | XLogP3-AA | 2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 4 | | Complexity | 644 | | Topological Polar Surface Area (A^2) | 66.8 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9620303 | | Predicted Log 10(IC50) values | 4.4413605 | | 2D Structure |  |
Record No:320
|
| DB_ACCESS_NUMBER | PPIM0942 | | CID | 402243 | | CHEMBL_ID | CHEMBL1995756 | | NSC_ID | NSC716134 | | PDB_CODE | | | Molecular Weight (g/mol) | 679.15 | | XLogP3-AA | 9.4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 6 | | Complexity | 951 | | Topological Polar Surface Area (A^2) | 93.9 | | Heavy Atom Count | 42 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1663783 | | Predicted Log 10(IC50) values | 2.5491749 | | 2D Structure |  |
Record No:321
|
| DB_ACCESS_NUMBER | PPIM0943 | | CID | 403241 | | CHEMBL_ID | | | NSC_ID | NSC717900 | | PDB_CODE | | | Molecular Weight (g/mol) | 377.28 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 501 | | Topological Polar Surface Area (A^2) | 41.9 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9350202 | | Predicted Log 10(IC50) values | 2.9307424 | | 2D Structure |  |
Record No:322
|
| DB_ACCESS_NUMBER | PPIM0944 | | CID | 403451 | | CHEMBL_ID | CHEMBL1991569 | | NSC_ID | NSC718318 | | PDB_CODE | | | Molecular Weight (g/mol) | 379.22 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 2 | | Complexity | 604 | | Topological Polar Surface Area (A^2) | 76.4 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9916838 | | Predicted Log 10(IC50) values | 4.6433134 | | 2D Structure |  |
Record No:323
|
| DB_ACCESS_NUMBER | PPIM0945 | | CID | 403651 | | CHEMBL_ID | CHEMBL1997772 | | NSC_ID | NSC718719 | | PDB_CODE | | | Molecular Weight (g/mol) | 401.68 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 568 | | Topological Polar Surface Area (A^2) | 41.5 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0244875 | | Predicted Log 10(IC50) values | 3.1980801 | | 2D Structure |  |
Record No:324
|
| DB_ACCESS_NUMBER | PPIM0946 | | CID | 403682 | | CHEMBL_ID | CHEMBL1982324 | | NSC_ID | NSC718806 | | PDB_CODE | | | Molecular Weight (g/mol) | 641.26 | | XLogP3-AA | 6.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 14 | | Rotatable Bond Count | 7 | | Complexity | 900 | | Topological Polar Surface Area (A^2) | 88.3 | | Heavy Atom Count | 33 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1626488 | | Predicted Log 10(IC50) values | 3.0528612 | | 2D Structure |  |
Record No:325
|
| DB_ACCESS_NUMBER | PPIM0947 | | CID | 403797 | | CHEMBL_ID | | | NSC_ID | NSC719309 | | PDB_CODE | | | Molecular Weight (g/mol) | 690.84 | | XLogP3-AA | 0.5 | | Hydrogen Bond Donor Count | 8 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 20 | | Complexity | 1100 | | Topological Polar Surface Area (A^2) | 226 | | Heavy Atom Count | 50 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.0745818 | | Predicted Log 10(IC50) values | 2.4555089 | | 2D Structure |  |
Record No:326
|
| DB_ACCESS_NUMBER | PPIM0948 | | CID | 404275 | | CHEMBL_ID | CHEMBL1989893 | | NSC_ID | NSC720458 | | PDB_CODE | | | Molecular Weight (g/mol) | 684.79 | | XLogP3-AA | 1.3 | | Hydrogen Bond Donor Count | 8 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 17 | | Complexity | 1140 | | Topological Polar Surface Area (A^2) | 216 | | Heavy Atom Count | 50 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3345882 | | Predicted Log 10(IC50) values | 2.0845447 | | 2D Structure |  |
Record No:327
|
| DB_ACCESS_NUMBER | PPIM0949 | | CID | 404580 | | CHEMBL_ID | | | NSC_ID | NSC720929 | | PDB_CODE | | | Molecular Weight (g/mol) | 433.28 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 2 | | Complexity | 689 | | Topological Polar Surface Area (A^2) | 69.9 | | Heavy Atom Count | 29 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9197601 | | Predicted Log 10(IC50) values | 5.3918933 | | 2D Structure |  |
Record No:328
|
| DB_ACCESS_NUMBER | PPIM0950 | | CID | 404780 | | CHEMBL_ID | | | NSC_ID | NSC721278 | | PDB_CODE | | | Molecular Weight (g/mol) | 518.10 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 1 | | Complexity | 735 | | Topological Polar Surface Area (A^2) | 98.3 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0570718 | | Predicted Log 10(IC50) values | 4.1169645 | | 2D Structure |  |
Record No:329
|
| DB_ACCESS_NUMBER | PPIM0951 | | CID | 404860 | | CHEMBL_ID | | | NSC_ID | NSC721404 | | PDB_CODE | | | Molecular Weight (g/mol) | 463.31 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 3 | | Complexity | 743 | | Topological Polar Surface Area (A^2) | 79.2 | | Heavy Atom Count | 31 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9237686 | | Predicted Log 10(IC50) values | 4.3562271 | | 2D Structure |  |
Record No:330
|
| DB_ACCESS_NUMBER | PPIM0952 | | CID | 405011 | | CHEMBL_ID | | | NSC_ID | NSC721773 | | PDB_CODE | | | Molecular Weight (g/mol) | 564.35 | | XLogP3-AA | 6.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 5 | | Complexity | 722 | | Topological Polar Surface Area (A^2) | 43.4 | | Heavy Atom Count | 33 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0781081 | | Predicted Log 10(IC50) values | 2.8064405 | | 2D Structure |  |
Record No:331
|
| DB_ACCESS_NUMBER | PPIM0953 | | CID | 405217 | | CHEMBL_ID | | | NSC_ID | NSC722283 | | PDB_CODE | | | Molecular Weight (g/mol) | 463.31 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 3 | | Complexity | 735 | | Topological Polar Surface Area (A^2) | 79.2 | | Heavy Atom Count | 31 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9162841 | | Predicted Log 10(IC50) values | 4.4385663 | | 2D Structure |  |
Record No:332
|
| DB_ACCESS_NUMBER | PPIM0954 | | CID | 406175 | | CHEMBL_ID | | | NSC_ID | NSC724187 | | PDB_CODE | | | Molecular Weight (g/mol) | 443.34 | | XLogP3-AA | 2.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 3 | | Complexity | 730 | | Topological Polar Surface Area (A^2) | 94.2 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9160696 | | Predicted Log 10(IC50) values | 4.7051268 | | 2D Structure |  |
Record No:333
|
| DB_ACCESS_NUMBER | PPIM0955 | | CID | 406613 | | CHEMBL_ID | | | NSC_ID | NSC724853 | | PDB_CODE | | | Molecular Weight (g/mol) | 308.28 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 178 | | Topological Polar Surface Area (A^2) | 131 | | Heavy Atom Count | 13 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0025752 | | Predicted Log 10(IC50) values | 3.4591335 | | 2D Structure |  |
Record No:334
|
| DB_ACCESS_NUMBER | PPIM0956 | | CID | 406615 | | CHEMBL_ID | | | NSC_ID | NSC724855 | | PDB_CODE | | | Molecular Weight (g/mol) | 384.66 | | XLogP3-AA | 5.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 6 | | Complexity | 261 | | Topological Polar Surface Area (A^2) | 161 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.2535723 | | Predicted Log 10(IC50) values | 2.9867143 | | 2D Structure |  |
Record No:335
|
| DB_ACCESS_NUMBER | PPIM0957 | | CID | 406617 | | CHEMBL_ID | | | NSC_ID | NSC724857 | | PDB_CODE | | | Molecular Weight (g/mol) | 336.34 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 1 | | Complexity | 213 | | Topological Polar Surface Area (A^2) | 131 | | Heavy Atom Count | 15 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4626006 | | Predicted Log 10(IC50) values | 3.3240134 | | 2D Structure |  |
Record No:336
|
| DB_ACCESS_NUMBER | PPIM0958 | | CID | 409127 | | CHEMBL_ID | | | NSC_ID | NSC18513 | | PDB_CODE | | | Molecular Weight (g/mol) | 696.44 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 8 | | Complexity | 960 | | Topological Polar Surface Area (A^2) | 110 | | Heavy Atom Count | 42 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes(useful for the treatment of cancer and cardiovascular diseases) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2753345 | | Predicted Log 10(IC50) values | 3.022756 | | 2D Structure |  |
Record No:337
|
| DB_ACCESS_NUMBER | PPIM0959 | | CID | 410321 | | CHEMBL_ID | | | NSC_ID | NSC27958 | | PDB_CODE | | | Molecular Weight (g/mol) | 514.71 | | XLogP3-AA | 11.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 6 | | Complexity | 711 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 40 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4062161 | | Predicted Log 10(IC50) values | 2.6826937 | | 2D Structure |  |
Record No:338
|
| DB_ACCESS_NUMBER | PPIM0960 | | CID | 411936 | | CHEMBL_ID | | | NSC_ID | NSC36503 | | PDB_CODE | | | Molecular Weight (g/mol) | 500.23 | | XLogP3-AA | 5.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 691 | | Topological Polar Surface Area (A^2) | 34.1 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1718797 | | Predicted Log 10(IC50) values | 2.2174591 | | 2D Structure |  |
Record No:339
|
| DB_ACCESS_NUMBER | PPIM0961 | | CID | 412252 | | CHEMBL_ID | | | NSC_ID | NSC38320 | | PDB_CODE | | | Molecular Weight (g/mol) | 384.83 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 572 | | Topological Polar Surface Area (A^2) | 43.4 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5429056 | | Predicted Log 10(IC50) values | 3.7732361 | | 2D Structure |  |
Record No:340
|
| DB_ACCESS_NUMBER | PPIM0962 | | CID | 417379 | | CHEMBL_ID | CHEMBL1993182 | | NSC_ID | NSC90318 | | PDB_CODE | | | Molecular Weight (g/mol) | 544.24 | | XLogP3-AA | 7.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 690 | | Topological Polar Surface Area (A^2) | 34.1 | | Heavy Atom Count | 32 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes(useful for the treatment of cancer) | | Off Targets | KCNH2 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2234823 | | Predicted Log 10(IC50) values | 1.2040185 | | 2D Structure |  |
Record No:341
|
| DB_ACCESS_NUMBER | PPIM0963 | | CID | 418550 | | CHEMBL_ID | | | NSC_ID | NSC101881 | | PDB_CODE | | | Molecular Weight (g/mol) | 368.04 | | XLogP3-AA | 1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 593 | | Topological Polar Surface Area (A^2) | 61 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3809442 | | Predicted Log 10(IC50) values | 4.860293 | | 2D Structure |  |
Record No:342
|
| DB_ACCESS_NUMBER | PPIM0964 | | CID | 418594 | | CHEMBL_ID | | | NSC_ID | NSC102911 | | PDB_CODE | | | Molecular Weight (g/mol) | 435.28 | | XLogP3-AA | 0.4 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 692 | | Topological Polar Surface Area (A^2) | 77.8 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.8440546 | | Predicted Log 10(IC50) values | 5.3810652 | | 2D Structure |  |
Record No:343
|
| DB_ACCESS_NUMBER | PPIM0965 | | CID | 418595 | | CHEMBL_ID | | | NSC_ID | NSC102913 | | PDB_CODE | | | Molecular Weight (g/mol) | 472.16 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 689 | | Topological Polar Surface Area (A^2) | 37.3 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.647807 | | Predicted Log 10(IC50) values | 3.854552 | | 2D Structure |  |
Record No:344
|
| DB_ACCESS_NUMBER | PPIM0966 | | CID | 418596 | | CHEMBL_ID | | | NSC_ID | NSC102914 | | PDB_CODE | | | Molecular Weight (g/mol) | 471.18 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 1 | | Rotatable Bond Count | 1 | | Complexity | 691 | | Topological Polar Surface Area (A^2) | 43.1 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.7537295 | | Predicted Log 10(IC50) values | 3.9232202 | | 2D Structure |  |
Record No:345
|
| DB_ACCESS_NUMBER | PPIM0967 | | CID | 418597 | | CHEMBL_ID | | | NSC_ID | NSC102915 | | PDB_CODE | | | Molecular Weight (g/mol) | 486.19 | | XLogP3-AA | 1.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 710 | | Topological Polar Surface Area (A^2) | 55.1 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.9310153 | | Predicted Log 10(IC50) values | 3.4342805 | | 2D Structure |  |
Record No:346
|
| DB_ACCESS_NUMBER | PPIM0968 | | CID | 418598 | | CHEMBL_ID | | | NSC_ID | NSC102916 | | PDB_CODE | | | Molecular Weight (g/mol) | 486.23 | | XLogP3-AA | 3.6 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 1 | | Rotatable Bond Count | 1 | | Complexity | 687 | | Topological Polar Surface Area (A^2) | 20.2 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.691414 | | Predicted Log 10(IC50) values | 3.2225284 | | 2D Structure |  |
Record No:347
|
| DB_ACCESS_NUMBER | PPIM0969 | | CID | 420720 | | CHEMBL_ID | | | NSC_ID | NSC126270 | | PDB_CODE | | | Molecular Weight (g/mol) | 528.20 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 18 | | Rotatable Bond Count | 10 | | Complexity | 756 | | Topological Polar Surface Area (A^2) | 23.1 | | Heavy Atom Count | 32 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.222193 | | Predicted Log 10(IC50) values | 3.7330303 | | 2D Structure |  |
Record No:348
|
| DB_ACCESS_NUMBER | PPIM0970 | | CID | 421504 | | CHEMBL_ID | | | NSC_ID | NSC134962 | | PDB_CODE | | | Molecular Weight (g/mol) | 481.77 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 715 | | Topological Polar Surface Area (A^2) | 35.5 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.7508056 | | Predicted Log 10(IC50) values | 3.6117324 | | 2D Structure |  |
Record No:349
|
| DB_ACCESS_NUMBER | PPIM0971 | | CID | 422412 | | CHEMBL_ID | | | NSC_ID | NSC143947 | | PDB_CODE | | | Molecular Weight (g/mol) | 372.01 | | XLogP3-AA | 0.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 613 | | Topological Polar Surface Area (A^2) | 52.6 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1155525 | | Predicted Log 10(IC50) values | 4.9256416 | | 2D Structure |  |
Record No:350
|
| DB_ACCESS_NUMBER | PPIM0972 | | CID | 423857 | | CHEMBL_ID | | | NSC_ID | NSC158183 | | PDB_CODE | | | Molecular Weight (g/mol) | 374.03 | | XLogP3-AA | 0.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 585 | | Topological Polar Surface Area (A^2) | 52.6 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3856653 | | Predicted Log 10(IC50) values | 4.3987696 | | 2D Structure |  |
Record No:351
|
| DB_ACCESS_NUMBER | PPIM0973 | | CID | 428600 | | CHEMBL_ID | | | NSC_ID | NSC240678 | | PDB_CODE | | | Molecular Weight (g/mol) | 616.34 | | XLogP3-AA | 7.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 8 | | Complexity | 925 | | Topological Polar Surface Area (A^2) | 100 | | Heavy Atom Count | 37 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1534398 | | Predicted Log 10(IC50) values | 0.84601068 | | 2D Structure |  |
Record No:352
|
| DB_ACCESS_NUMBER | PPIM0974 | | CID | 429365 | | CHEMBL_ID | | | NSC_ID | NSC254063 | | PDB_CODE | | | Molecular Weight (g/mol) | 362.01 | | XLogP3-AA | 0.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 516 | | Topological Polar Surface Area (A^2) | 35.5 | | Heavy Atom Count | 17 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5353853 | | Predicted Log 10(IC50) values | 3.5621225 | | 2D Structure |  |
Record No:353
|
| DB_ACCESS_NUMBER | PPIM0975 | | CID | 429734 | | CHEMBL_ID | | | NSC_ID | NSC263697 | | PDB_CODE | | | Molecular Weight (g/mol) | 390.22 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 12 | | Rotatable Bond Count | 5 | | Complexity | 550 | | Topological Polar Surface Area (A^2) | 51.8 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9116735 | | Predicted Log 10(IC50) values | 2.9584679 | | 2D Structure |  |
Record No:354
|
| DB_ACCESS_NUMBER | PPIM0976 | | CID | 432769 | | CHEMBL_ID | | | NSC_ID | NSC314547 | | PDB_CODE | | | Molecular Weight (g/mol) | 402.15 | | XLogP3-AA | 3.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 590 | | Topological Polar Surface Area (A^2) | 43.8 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9514028 | | Predicted Log 10(IC50) values | 3.6737503 | | 2D Structure |  |
Record No:355
|
| DB_ACCESS_NUMBER | PPIM0977 | | CID | 434035 | | CHEMBL_ID | | | NSC_ID | NSC341587 | | PDB_CODE | | | Molecular Weight (g/mol) | 499.44 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 7 | | Complexity | 797 | | Topological Polar Surface Area (A^2) | 93.1 | | Heavy Atom Count | 31 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9023545 | | Predicted Log 10(IC50) values | 3.4062008 | | 2D Structure |  |
Record No:356
|
| DB_ACCESS_NUMBER | PPIM0978 | | CID | 434038 | | CHEMBL_ID | | | NSC_ID | NSC341590 | | PDB_CODE | | | Molecular Weight (g/mol) | 499.44 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 6 | | Complexity | 797 | | Topological Polar Surface Area (A^2) | 93.1 | | Heavy Atom Count | 31 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.936152 | | Predicted Log 10(IC50) values | 3.4534877 | | 2D Structure |  |
Record No:357
|
| DB_ACCESS_NUMBER | PPIM0979 | | CID | 434170 | | CHEMBL_ID | | | NSC_ID | NSC344020 | | PDB_CODE | | | Molecular Weight (g/mol) | 478.33 | | XLogP3-AA | 1.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 5 | | Complexity | 776 | | Topological Polar Surface Area (A^2) | 83.1 | | Heavy Atom Count | 30 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9709818 | | Predicted Log 10(IC50) values | 3.8425733 | | 2D Structure |  |
Record No:358
|
| DB_ACCESS_NUMBER | PPIM0980 | | CID | 434171 | | CHEMBL_ID | | | NSC_ID | NSC344021 | | PDB_CODE | | | Molecular Weight (g/mol) | 525.33 | | XLogP3-AA | 1.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 5 | | Complexity | 776 | | Topological Polar Surface Area (A^2) | 83.1 | | Heavy Atom Count | 30 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0604946 | | Predicted Log 10(IC50) values | 4.6143914 | | 2D Structure |  |
Record No:359
|
| DB_ACCESS_NUMBER | PPIM0981 | | CID | 434569 | | CHEMBL_ID | | | NSC_ID | NSC352110 | | PDB_CODE | | | Molecular Weight (g/mol) | 404.09 | | XLogP3-AA | 2.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 3 | | Complexity | 523 | | Topological Polar Surface Area (A^2) | 31 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5019723 | | Predicted Log 10(IC50) values | 3.3054247 | | 2D Structure |  |
Record No:360
|
| DB_ACCESS_NUMBER | PPIM0982 | | CID | 435291 | | CHEMBL_ID | | | NSC_ID | NSC367101 | | PDB_CODE | | | Molecular Weight (g/mol) | 402.69 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 4 | | Complexity | 566 | | Topological Polar Surface Area (A^2) | 46.6 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9801626 | | Predicted Log 10(IC50) values | 3.1134871 | | 2D Structure |  |
Record No:361
|
| DB_ACCESS_NUMBER | PPIM0983 | | CID | 435507 | | CHEMBL_ID | | | NSC_ID | NSC371185 | | PDB_CODE | | | Molecular Weight (g/mol) | 602.95 | | XLogP3-AA | 8.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 4 | | Complexity | 935 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 37 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2058718 | | Predicted Log 10(IC50) values | 0.43018214 | | 2D Structure |  |
Record No:362
|
| DB_ACCESS_NUMBER | PPIM0984 | | CID | 435508 | | CHEMBL_ID | | | NSC_ID | NSC371186 | | PDB_CODE | | | Molecular Weight (g/mol) | 637.39 | | XLogP3-AA | 9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 4 | | Complexity | 976 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 38 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3887784 | | Predicted Log 10(IC50) values | 0.58201755 | | 2D Structure |  |
Record No:363
|
| DB_ACCESS_NUMBER | PPIM0985 | | CID | 435509 | | CHEMBL_ID | | | NSC_ID | NSC371187 | | PDB_CODE | | | Molecular Weight (g/mol) | 681.84 | | XLogP3-AA | 9.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 4 | | Complexity | 968 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 38 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.8260821 | | Predicted Log 10(IC50) values | 2.3889546 | | 2D Structure |  |
Record No:364
|
| DB_ACCESS_NUMBER | PPIM0986 | | CID | 435510 | | CHEMBL_ID | | | NSC_ID | NSC371188 | | PDB_CODE | | | Molecular Weight (g/mol) | 616.98 | | XLogP3-AA | 8.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 4 | | Complexity | 964 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 38 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3069299 | | Predicted Log 10(IC50) values | 0.27302651 | | 2D Structure |  |
Record No:365
|
| DB_ACCESS_NUMBER | PPIM0987 | | CID | 436767 | | CHEMBL_ID | | | NSC_ID | NSC403107 | | PDB_CODE | | | Molecular Weight (g/mol) | 355.18 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 521 | | Topological Polar Surface Area (A^2) | 43.4 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9075029 | | Predicted Log 10(IC50) values | 3.4477564 | | 2D Structure |  |
Record No:366
|
| DB_ACCESS_NUMBER | PPIM0988 | | CID | 45028255 | | CHEMBL_ID | | | NSC_ID | NSC741937 | | PDB_CODE | | | Molecular Weight (g/mol) | 381.63 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 546 | | Topological Polar Surface Area (A^2) | 40.6 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1786083 | | Predicted Log 10(IC50) values | 3.3340707 | | 2D Structure |  |
Record No:367
|
| DB_ACCESS_NUMBER | PPIM0989 | | CID | 45028352 | | CHEMBL_ID | | | NSC_ID | NSC742286 | | PDB_CODE | | | Molecular Weight (g/mol) | 323.31 | | XLogP3-AA | -1.4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 2 | | Complexity | 771 | | Topological Polar Surface Area (A^2) | 134 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.205545 | | Predicted Log 10(IC50) values | 4.6992189 | | 2D Structure |  |
Record No:368
|
| DB_ACCESS_NUMBER | PPIM0990 | | CID | 45029455 | | CHEMBL_ID | CHEMBL1945557 | | NSC_ID | NSC746886 | | PDB_CODE | | | Molecular Weight (g/mol) | 391.29 | | XLogP3-AA | 3.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 626 | | Topological Polar Surface Area (A^2) | 61.1 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9663949 | | Predicted Log 10(IC50) values | 4.7129065 | | 2D Structure |  |
Record No:369
|
| DB_ACCESS_NUMBER | PPIM0991 | | CID | 45029465 | | CHEMBL_ID | CHEMBL2235184 | | NSC_ID | NSC746903 | | PDB_CODE | | | Molecular Weight (g/mol) | 507.38 | | XLogP3-AA | 4.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 865 | | Topological Polar Surface Area (A^2) | 93.2 | | Heavy Atom Count | 32 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0377816 | | Predicted Log 10(IC50) values | 3.2584236 | | 2D Structure |  |
Record No:370
|
| DB_ACCESS_NUMBER | PPIM0992 | | CID | 45029473 | | CHEMBL_ID | CHEMBL2235170 | | NSC_ID | NSC746911 | | PDB_CODE | | | Molecular Weight (g/mol) | 396.24 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 695 | | Topological Polar Surface Area (A^2) | 66.1 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9322687 | | Predicted Log 10(IC50) values | 5.4746894 | | 2D Structure |  |
Record No:371
|
| DB_ACCESS_NUMBER | PPIM0993 | | CID | 4568312 | | CHEMBL_ID | | | NSC_ID | NSC240711 | | PDB_CODE | | | Molecular Weight (g/mol) | 350.37 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 4 | | Complexity | 781 | | Topological Polar Surface Area (A^2) | 149 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9490761 | | Predicted Log 10(IC50) values | 4.0814034 | | 2D Structure |  |
Record No:372
|
| DB_ACCESS_NUMBER | PPIM0994 | | CID | 4999 | | CHEMBL_ID | CHEMBL1200472 | | NSC_ID | NSC309702 | | PDB_CODE | | | Molecular Weight (g/mol) | 386.79 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 2 | | Complexity | 539 | | Topological Polar Surface Area (A^2) | 47.7 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes ( as A drug in Clinical Trials FDA UNII used to treat insomnia) | | Off Targets | GABRA1, GABRA2,GABRA3, GABRA5. GABRG1, GABRG2, GABRG3, GABRB3 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.112728 | | Predicted Log 10(IC50) values | 2.9532646 | | 2D Structure |  |
Record No:373
|
| DB_ACCESS_NUMBER | PPIM0995 | | CID | 5286961 | | CHEMBL_ID | CHEMBL2001904 | | NSC_ID | NSC6244 | | PDB_CODE | | | Molecular Weight (g/mol) | 540.22 | | XLogP3-AA | 5.3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 3 | | Complexity | 868 | | Topological Polar Surface Area (A^2) | 100 | | Heavy Atom Count | 29 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 100000 | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | KCNH2, blaVIM-2, MAP3K3, MAP4K2, PHOSPHO1, NOD2, NOD1, PKM | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5085353 | | Predicted Log 10(IC50) values | 1.8650103 | | 2D Structure |  |
Record No:374
|
| DB_ACCESS_NUMBER | PPIM0996 | | CID | 5351862 | | CHEMBL_ID | CHEMBL1317013 | | NSC_ID | NSC67091 | | PDB_CODE | | | Molecular Weight (g/mol) | 471.14 | | XLogP3-AA | 5.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 696 | | Topological Polar Surface Area (A^2) | 49.3 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 2 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | SMAD3, PTGER2, PTGER2 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0301233 | | Predicted Log 10(IC50) values | 3.735088 | | 2D Structure |  |
Record No:375
|
| DB_ACCESS_NUMBER | PPIM0997 | | CID | 5355478 | | CHEMBL_ID | | | NSC_ID | NSC37662 | | PDB_CODE | | | Molecular Weight (g/mol) | 366.82 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 521 | | Topological Polar Surface Area (A^2) | 34.1 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.364067 | | Predicted Log 10(IC50) values | 3.5513302 | | 2D Structure |  |
Record No:376
|
| DB_ACCESS_NUMBER | PPIM0998 | | CID | 5359404 | | CHEMBL_ID | CHEMBL1733061 | | NSC_ID | NSC88466 | | PDB_CODE | | | Molecular Weight (g/mol) | 306.22 | | XLogP3-AA | -0.7 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 0 | | Complexity | 801 | | Topological Polar Surface Area (A^2) | 149 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 1270 | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes ( as A drug in Clinical Trials FDA UNII used to treat cancer) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.581647 | | Predicted Log 10(IC50) values | 3.9997378 | | 2D Structure |  |
Record No:377
|
| DB_ACCESS_NUMBER | PPIM0999 | | CID | 5380673 | | CHEMBL_ID | | | NSC_ID | NSC103006 | | PDB_CODE | | | Molecular Weight (g/mol) | 386.24 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 575 | | Topological Polar Surface Area (A^2) | 49.8 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1464468 | | Predicted Log 10(IC50) values | 3.5862269 | | 2D Structure |  |
Record No:378
|
| DB_ACCESS_NUMBER | PPIM1000 | | CID | 5382353 | | CHEMBL_ID | | | NSC_ID | NSC137461 | | PDB_CODE | | | Molecular Weight (g/mol) | 406.29 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 602 | | Topological Polar Surface Area (A^2) | 62.8 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9644514 | | Predicted Log 10(IC50) values | 3.7084038 | | 2D Structure |  |
Record No:379
|
| DB_ACCESS_NUMBER | PPIM1001 | | CID | 5384768 | | CHEMBL_ID | | | NSC_ID | NSC360697 | | PDB_CODE | | | Molecular Weight (g/mol) | 419.06 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 3 | | Complexity | 643 | | Topological Polar Surface Area (A^2) | 72.5 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2352148 | | Predicted Log 10(IC50) values | 4.7776682 | | 2D Structure |  |
Record No:380
|
| DB_ACCESS_NUMBER | PPIM1002 | | CID | 5386357 | | CHEMBL_ID | | | NSC_ID | NSC607991 | | PDB_CODE | | | Molecular Weight (g/mol) | 362.22 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 556 | | Topological Polar Surface Area (A^2) | 47.6 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9567713 | | Predicted Log 10(IC50) values | 3.9784719 | | 2D Structure |  |
Record No:381
|
| DB_ACCESS_NUMBER | PPIM1003 | | CID | 5387017 | | CHEMBL_ID | CHEMBL1971889 | | NSC_ID | NSC619686 | | PDB_CODE | | | Molecular Weight (g/mol) | 474.15 | | XLogP3-AA | 4.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 4 | | Complexity | 714 | | Topological Polar Surface Area (A^2) | 58.2 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 2 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0904923 | | Predicted Log 10(IC50) values | 3.8925567 | | 2D Structure |  |
Record No:382
|
| DB_ACCESS_NUMBER | PPIM1004 | | CID | 5387174 | | CHEMBL_ID | CHEMBL1990661 | | NSC_ID | NSC621454 | | PDB_CODE | | | Molecular Weight (g/mol) | 407.64 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 701 | | Topological Polar Surface Area (A^2) | 67.4 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.105785 | | Predicted Log 10(IC50) values | 5.5508151 | | 2D Structure |  |
Record No:383
|
| DB_ACCESS_NUMBER | PPIM1005 | | CID | 5387176 | | CHEMBL_ID | CHEMBL2005650 | | NSC_ID | NSC621456 | | PDB_CODE | | | Molecular Weight (g/mol) | 378.65 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 615 | | Topological Polar Surface Area (A^2) | 67.5 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1817425 | | Predicted Log 10(IC50) values | 4.8390728 | | 2D Structure |  |
Record No:384
|
| DB_ACCESS_NUMBER | PPIM1006 | | CID | 54599590 | | CHEMBL_ID | | | NSC_ID | NSC84592 | | PDB_CODE | | | Molecular Weight (g/mol) | 385.21 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 4 | | Complexity | 560 | | Topological Polar Surface Area (A^2) | 52.6 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9764032 | | Predicted Log 10(IC50) values | 3.3314627 | | 2D Structure |  |
Record No:385
|
| DB_ACCESS_NUMBER | PPIM1007 | | CID | 54600268 | | CHEMBL_ID | | | NSC_ID | NSC116624 | | PDB_CODE | | | Molecular Weight (g/mol) | 695.25 | | XLogP3-AA | 6.1 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 9 | | Complexity | 995 | | Topological Polar Surface Area (A^2) | 84.9 | | Heavy Atom Count | 37 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 2 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3445209 | | Predicted Log 10(IC50) values | 2.5980561 | | 2D Structure |  |
Record No:386
|
| DB_ACCESS_NUMBER | PPIM1008 | | CID | 54604837 | | CHEMBL_ID | | | NSC_ID | NSC715409 | | PDB_CODE | | | Molecular Weight (g/mol) | 351.65 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 489 | | Topological Polar Surface Area (A^2) | 49.4 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 4 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9149967 | | Predicted Log 10(IC50) values | 2.985705 | | 2D Structure |  |
Record No:387
|
| DB_ACCESS_NUMBER | PPIM1009 | | CID | 54604916 | | CHEMBL_ID | | | NSC_ID | NSC23161 | | PDB_CODE | | | Molecular Weight (g/mol) | 546.38 | | XLogP3-AA | 6.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 5 | | Complexity | 715 | | Topological Polar Surface Area (A^2) | 35.5 | | Heavy Atom Count | 30 | | Defined Atom Stereocenter Count | 10 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.7824162 | | Predicted Log 10(IC50) values | 1.7849846 | | 2D Structure |  |
Record No:388
|
| DB_ACCESS_NUMBER | PPIM1010 | | CID | 54606088 | | CHEMBL_ID | | | NSC_ID | NSC103517 | | PDB_CODE | | | Molecular Weight (g/mol) | 388.17 | | XLogP3-AA | 3.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 1 | | Complexity | 569 | | Topological Polar Surface Area (A^2) | 66 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9059187 | | Predicted Log 10(IC50) values | 3.3473863 | | 2D Structure |  |
Record No:389
|
| DB_ACCESS_NUMBER | PPIM1011 | | CID | 54606105 | | CHEMBL_ID | | | NSC_ID | NSC103861 | | PDB_CODE | | | Molecular Weight (g/mol) | 710.27 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 8 | | Complexity | 997 | | Topological Polar Surface Area (A^2) | 127 | | Heavy Atom Count | 36 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 2 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.086905 | | Predicted Log 10(IC50) values | 2.7066789 | | 2D Structure |  |
Record No:390
|
| DB_ACCESS_NUMBER | PPIM1012 | | CID | 54606293 | | CHEMBL_ID | | | NSC_ID | NSC108539 | | PDB_CODE | | | Molecular Weight (g/mol) | 482.17 | | XLogP3-AA | 3.4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 4 | | Complexity | 719 | | Topological Polar Surface Area (A^2) | 64.7 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 2 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2196313 | | Predicted Log 10(IC50) values | 3.7333751 | | 2D Structure |  |
Record No:391
|
| DB_ACCESS_NUMBER | PPIM1013 | | CID | 54606684 | | CHEMBL_ID | | | NSC_ID | NSC143353 | | PDB_CODE | | | Molecular Weight (g/mol) | 370.02 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 575 | | Topological Polar Surface Area (A^2) | 56.4 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 2 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1647318 | | Predicted Log 10(IC50) values | 4.2471753 | | 2D Structure |  |
Record No:392
|
| DB_ACCESS_NUMBER | PPIM1014 | | CID | 54608442 | | CHEMBL_ID | | | NSC_ID | NSC401193 | | PDB_CODE | | | Molecular Weight (g/mol) | 369.21 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 3 | | Complexity | 543 | | Topological Polar Surface Area (A^2) | 54.4 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9365553 | | Predicted Log 10(IC50) values | 3.4229597 | | 2D Structure |  |
Record No:393
|
| DB_ACCESS_NUMBER | PPIM1015 | | CID | 54608971 | | CHEMBL_ID | CHEMBL2005027 | | NSC_ID | NSC697268 | | PDB_CODE | | | Molecular Weight (g/mol) | 570.25 | | XLogP3-AA | 5.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 602 | | Topological Polar Surface Area (A^2) | 35.5 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 6 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9596148 | | Predicted Log 10(IC50) values | 2.7974551 | | 2D Structure |  |
Record No:394
|
| DB_ACCESS_NUMBER | PPIM1016 | | CID | 54611944 | | CHEMBL_ID | | | NSC_ID | NSC716038 | | PDB_CODE | | | Molecular Weight (g/mol) | 582.27 | | XLogP3-AA | 5.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 3 | | Complexity | 1030 | | Topological Polar Surface Area (A^2) | 106 | | Heavy Atom Count | 33 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2317105 | | Predicted Log 10(IC50) values | 2.3268322 | | 2D Structure |  |
Record No:395
|
| DB_ACCESS_NUMBER | PPIM1017 | | CID | 54613310 | | CHEMBL_ID | | | NSC_ID | NSC750349 | | PDB_CODE | | | Molecular Weight (g/mol) | 472.52 | | XLogP3-AA | 4.5 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 3 | | Complexity | 706 | | Topological Polar Surface Area (A^2) | 82.6 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0999049 | | Predicted Log 10(IC50) values | 3.8094635 | | 2D Structure |  |
Record No:396
|
| DB_ACCESS_NUMBER | PPIM1018 | | CID | 54613361 | | CHEMBL_ID | | | NSC_ID | NSC750491 | | PDB_CODE | | | Molecular Weight (g/mol) | 618.34 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 4 | | Complexity | 967 | | Topological Polar Surface Area (A^2) | 102 | | Heavy Atom Count | 37 | | Defined Atom Stereocenter Count | 10 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | 21139045 | | Protein-Protein Interaction Modulator SVM score | 2.6952982 | | Predicted Log 10(IC50) values | -0.21694024 | | 2D Structure |  |
Record No:397
|
| DB_ACCESS_NUMBER | PPIM1019 | | CID | 54613583 | | CHEMBL_ID | CHEMBL1945559 | | NSC_ID | NSC748497 | | PDB_CODE | | | Molecular Weight (g/mol) | 363.24 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 584 | | Topological Polar Surface Area (A^2) | 69.8 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 60 | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0101572 | | Predicted Log 10(IC50) values | 4.7498642 | | 2D Structure |  |
Record No:398
|
| DB_ACCESS_NUMBER | PPIM1020 | | CID | 54613736 | | CHEMBL_ID | | | NSC_ID | NSC748768 | | PDB_CODE | | | Molecular Weight (g/mol) | 359.18 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 1 | | Complexity | 774 | | Topological Polar Surface Area (A^2) | 136 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9488667 | | Predicted Log 10(IC50) values | 4.1326381 | | 2D Structure |  |
Record No:399
|
| DB_ACCESS_NUMBER | PPIM1021 | | CID | 5466455 | | CHEMBL_ID | | | NSC_ID | NSC691831 | | PDB_CODE | | | Molecular Weight (g/mol) | 352.35 | | XLogP3-AA | 0.1 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 1 | | Complexity | 771 | | Topological Polar Surface Area (A^2) | 129 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9822878 | | Predicted Log 10(IC50) values | 4.3124049 | | 2D Structure |  |
Record No:400
|
| DB_ACCESS_NUMBER | PPIM1022 | | CID | 5467140 | | CHEMBL_ID | CHEMBL1990021 | | NSC_ID | NSC647582 | | PDB_CODE | | | Molecular Weight (g/mol) | 353.33 | | XLogP3-AA | 0.9 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | | | Rotatable Bond Count | 3 | | Complexity | 780 | | Topological Polar Surface Area (A^2) | 146 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9836348 | | Predicted Log 10(IC50) values | 4.0794251 | | 2D Structure |  |
Record No:401
|
| DB_ACCESS_NUMBER | PPIM1023 | | CID | 5468512 | | CHEMBL_ID | CHEMBL2001830 | | NSC_ID | NSC671096 | | PDB_CODE | | | Molecular Weight (g/mol) | 439.06 | | XLogP3-AA | 3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 731 | | Topological Polar Surface Area (A^2) | 91.9 | | Heavy Atom Count | 23 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5126209 | | Predicted Log 10(IC50) values | 4.7807305 | | 2D Structure |  |
Record No:402
|
| DB_ACCESS_NUMBER | PPIM1024 | | CID | 5468713 | | CHEMBL_ID | CHEMBL2000388 | | NSC_ID | NSC674919 | | PDB_CODE | | | Molecular Weight (g/mol) | 383.24 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 3 | | Complexity | 569 | | Topological Polar Surface Area (A^2) | 43.4 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9153971 | | Predicted Log 10(IC50) values | 3.6198881 | | 2D Structure |  |
Record No:403
|
| DB_ACCESS_NUMBER | PPIM1025 | | CID | 5469508 | | CHEMBL_ID | CHEMBL1977208 | | NSC_ID | NSC689276 | | PDB_CODE | | | Molecular Weight (g/mol) | 370.41 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 605 | | Topological Polar Surface Area (A^2) | 65.4 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9408645 | | Predicted Log 10(IC50) values | 4.8013607 | | 2D Structure |  |
Record No:404
|
| DB_ACCESS_NUMBER | PPIM1026 | | CID | 5469509 | | CHEMBL_ID | | | NSC_ID | NSC689277 | | PDB_CODE | | | Molecular Weight (g/mol) | 403.32 | | XLogP3-AA | 3.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 621 | | Topological Polar Surface Area (A^2) | 65.4 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9561489 | | Predicted Log 10(IC50) values | 4.3325051 | | 2D Structure |  |
Record No:405
|
| DB_ACCESS_NUMBER | PPIM1027 | | CID | 5469510 | | CHEMBL_ID | CHEMBL1992591 | | NSC_ID | NSC689278 | | PDB_CODE | | | Molecular Weight (g/mol) | 403.32 | | XLogP3-AA | 3.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 621 | | Topological Polar Surface Area (A^2) | 65.4 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9561489 | | Predicted Log 10(IC50) values | 4.3325051 | | 2D Structure |  |
Record No:406
|
| DB_ACCESS_NUMBER | PPIM1028 | | CID | 5469512 | | CHEMBL_ID | CHEMBL1990628 | | NSC_ID | NSC689280 | | PDB_CODE | | | Molecular Weight (g/mol) | 532.25 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 765 | | Topological Polar Surface Area (A^2) | 67.2 | | Heavy Atom Count | 29 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0723718 | | Predicted Log 10(IC50) values | 4.8340867 | | 2D Structure |  |
Record No:407
|
| DB_ACCESS_NUMBER | PPIM1029 | | CID | 5469517 | | CHEMBL_ID | CHEMBL1975462 | | NSC_ID | NSC689285 | | PDB_CODE | | | Molecular Weight (g/mol) | 474.15 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 655 | | Topological Polar Surface Area (A^2) | 50.7 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9780595 | | Predicted Log 10(IC50) values | 2.8596146 | | 2D Structure |  |
Record No:408
|
| DB_ACCESS_NUMBER | PPIM1030 | | CID | 5469930 | | CHEMBL_ID | CHEMBL1969573 | | NSC_ID | NSC694461 | | PDB_CODE | | | Molecular Weight (g/mol) | 378.02 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 3 | | Complexity | 532 | | Topological Polar Surface Area (A^2) | 59.9 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.204913 | | Predicted Log 10(IC50) values | 2.9612925 | | 2D Structure |  |
Record No:409
|
| DB_ACCESS_NUMBER | PPIM1031 | | CID | 5470440 | | CHEMBL_ID | CHEMBL421797 | | NSC_ID | NSC701759 | | PDB_CODE | | | Molecular Weight (g/mol) | 473.18 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 647 | | Topological Polar Surface Area (A^2) | 65.5 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9943885 | | Predicted Log 10(IC50) values | 2.3579962 | | 2D Structure |  |
Record No:410
|
| DB_ACCESS_NUMBER | PPIM1032 | | CID | 5470441 | | CHEMBL_ID | CHEMBL152143 | | NSC_ID | NSC701760 | | PDB_CODE | | | Molecular Weight (g/mol) | 394.29 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 614 | | Topological Polar Surface Area (A^2) | 65.5 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0629736 | | Predicted Log 10(IC50) values | 4.3257462 | | 2D Structure |  |
Record No:411
|
| DB_ACCESS_NUMBER | PPIM1033 | | CID | 5470442 | | CHEMBL_ID | CHEMBL154120 | | NSC_ID | NSC701761 | | PDB_CODE | | | Molecular Weight (g/mol) | 394.29 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 614 | | Topological Polar Surface Area (A^2) | 65.5 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0629736 | | Predicted Log 10(IC50) values | 4.3257462 | | 2D Structure |  |
Record No:412
|
| DB_ACCESS_NUMBER | PPIM1034 | | CID | 5470694 | | CHEMBL_ID | CHEMBL2007520 | | NSC_ID | NSC704587 | | PDB_CODE | | | Molecular Weight (g/mol) | 682.62 | | XLogP3-AA | -0.5 | | Hydrogen Bond Donor Count | 8 | | Hydrogen Bond Acceptor Count | 17 | | Rotatable Bond Count | 9 | | Complexity | 1120 | | Topological Polar Surface Area (A^2) | 253 | | Heavy Atom Count | 48 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3669378 | | Predicted Log 10(IC50) values | 3.097914 | | 2D Structure |  |
Record No:413
|
| DB_ACCESS_NUMBER | PPIM1035 | | CID | 5470831 | | CHEMBL_ID | | | NSC_ID | NSC705864 | | PDB_CODE | | | Molecular Weight (g/mol) | 394.29 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 614 | | Topological Polar Surface Area (A^2) | 65.5 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0629736 | | Predicted Log 10(IC50) values | 4.3257462 | | 2D Structure |  |
Record No:414
|
| DB_ACCESS_NUMBER | PPIM1036 | | CID | 5470832 | | CHEMBL_ID | | | NSC_ID | NSC705865 | | PDB_CODE | | | Molecular Weight (g/mol) | 473.18 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 647 | | Topological Polar Surface Area (A^2) | 65.5 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9943885 | | Predicted Log 10(IC50) values | 2.3579962 | | 2D Structure |  |
Record No:415
|
| DB_ACCESS_NUMBER | PPIM1037 | | CID | 5470833 | | CHEMBL_ID | | | NSC_ID | NSC705866 | | PDB_CODE | | | Molecular Weight (g/mol) | 394.29 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 614 | | Topological Polar Surface Area (A^2) | 65.5 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0629736 | | Predicted Log 10(IC50) values | 4.3257462 | | 2D Structure |  |
Record No:416
|
| DB_ACCESS_NUMBER | PPIM1038 | | CID | 5470835 | | CHEMBL_ID | | | NSC_ID | NSC705869 | | PDB_CODE | | | Molecular Weight (g/mol) | 473.18 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 647 | | Topological Polar Surface Area (A^2) | 65.5 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9943885 | | Predicted Log 10(IC50) values | 2.3579962 | | 2D Structure |  |
Record No:417
|
| DB_ACCESS_NUMBER | PPIM1039 | | CID | 5470836 | | CHEMBL_ID | | | NSC_ID | NSC705870 | | PDB_CODE | | | Molecular Weight (g/mol) | 473.18 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 647 | | Topological Polar Surface Area (A^2) | 65.5 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9943885 | | Predicted Log 10(IC50) values | 2.3579962 | | 2D Structure |  |
Record No:418
|
| DB_ACCESS_NUMBER | PPIM1040 | | CID | 54719014 | | CHEMBL_ID | CHEMBL1997284 | | NSC_ID | NSC621469 | | PDB_CODE | | | Molecular Weight (g/mol) | 447.08 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 630 | | Topological Polar Surface Area (A^2) | 70.3 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0031884 | | Predicted Log 10(IC50) values | 3.3727533 | | 2D Structure |  |
Record No:419
|
| DB_ACCESS_NUMBER | PPIM1041 | | CID | 5472056 | | CHEMBL_ID | | | NSC_ID | NSC716161 | | PDB_CODE | | | Molecular Weight (g/mol) | 516.07 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 639 | | Topological Polar Surface Area (A^2) | 50.7 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 2 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2022413 | | Predicted Log 10(IC50) values | 0.88494396 | | 2D Structure |  |
Record No:420
|
| DB_ACCESS_NUMBER | PPIM1042 | | CID | 5472122 | | CHEMBL_ID | | | NSC_ID | NSC716341 | | PDB_CODE | | | Molecular Weight (g/mol) | 524.17 | | XLogP3-AA | 5.9 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 5 | | Complexity | 867 | | Topological Polar Surface Area (A^2) | 96.1 | | Heavy Atom Count | 33 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0906064 | | Predicted Log 10(IC50) values | 2.3361314 | | 2D Structure |  |
Record No:421
|
| DB_ACCESS_NUMBER | PPIM1043 | | CID | 54721825 | | CHEMBL_ID | | | NSC_ID | NSC296647 | | PDB_CODE | | | Molecular Weight (g/mol) | 612.90 | | XLogP3-AA | 5.5 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 5 | | Complexity | 865 | | Topological Polar Surface Area (A^2) | 109 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 3 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1022141 | | Predicted Log 10(IC50) values | 3.2468228 | | 2D Structure |  |
Record No:422
|
| DB_ACCESS_NUMBER | PPIM1044 | | CID | 5472302 | | CHEMBL_ID | CHEMBL173445 | | NSC_ID | NSC717816 | | PDB_CODE | | | Molecular Weight (g/mol) | 388.16 | | XLogP3-AA | 3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 530 | | Topological Polar Surface Area (A^2) | 58.2 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 68 | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | 2618709, 147611 | | Protein-Protein Interaction Modulator SVM score | 2.0678313 | | Predicted Log 10(IC50) values | 2.6627243 | | 2D Structure |  |
Record No:423
|
| DB_ACCESS_NUMBER | PPIM1045 | | CID | 5472304 | | CHEMBL_ID | CHEMBL176676 | | NSC_ID | NSC717819 | | PDB_CODE | | | Molecular Weight (g/mol) | 420.06 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 562 | | Topological Polar Surface Area (A^2) | 58.2 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 250 | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes(useful for the combinational treatment of cancer) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9719574 | | Predicted Log 10(IC50) values | 2.7196606 | | 2D Structure |  |
Record No:424
|
| DB_ACCESS_NUMBER | PPIM1046 | | CID | 5472313 | | CHEMBL_ID | CHEMBL337300 | | NSC_ID | NSC717830 | | PDB_CODE | | | Molecular Weight (g/mol) | 403.17 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 650 | | Topological Polar Surface Area (A^2) | 77.5 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 5 | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes(useful for the treatment of cancer) | | Off Targets | VRK3, VRK2, VRK1, TNIK, STK4, STK38, STK26, STK25, STK17A | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | 14698171, 14761 | | Protein-Protein Interaction Modulator SVM score | 2.1265684 | | Predicted Log 10(IC50) values | 5.1003363 | | 2D Structure |  |
Record No:425
|
| DB_ACCESS_NUMBER | PPIM1047 | | CID | 5472467 | | CHEMBL_ID | CHEMBL1983576 | | NSC_ID | NSC719148 | | PDB_CODE | | | Molecular Weight (g/mol) | 631.32 | | XLogP3-AA | 8.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 6 | | Complexity | 934 | | Topological Polar Surface Area (A^2) | 93.5 | | Heavy Atom Count | 40 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9173803 | | Predicted Log 10(IC50) values | 1.3200235 | | 2D Structure |  |
Record No:426
|
| DB_ACCESS_NUMBER | PPIM1048 | | CID | 5472758 | | CHEMBL_ID | | | NSC_ID | NSC721478 | | PDB_CODE | | | Molecular Weight (g/mol) | 387.22 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 4 | | Complexity | 524 | | Topological Polar Surface Area (A^2) | 44.8 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0394935 | | Predicted Log 10(IC50) values | 2.8885066 | | 2D Structure |  |
Record No:427
|
| DB_ACCESS_NUMBER | PPIM1049 | | CID | 5473357 | | CHEMBL_ID | | | NSC_ID | NSC725199 | | PDB_CODE | | | Molecular Weight (g/mol) | 526.78 | | XLogP3-AA | 5.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 4 | | Complexity | 863 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 32 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0670003 | | Predicted Log 10(IC50) values | 2.056708 | | 2D Structure |  |
Record No:428
|
| DB_ACCESS_NUMBER | PPIM1050 | | CID | 56946086 | | CHEMBL_ID | CHEMBL1945556 | | NSC_ID | NSC745321 | | PDB_CODE | | | Molecular Weight (g/mol) | 377.26 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 611 | | Topological Polar Surface Area (A^2) | 61.1 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | 22136433 | | Protein-Protein Interaction Modulator SVM score | 2.1155293 | | Predicted Log 10(IC50) values | 4.6957753 | | 2D Structure |  |
Record No:429
|
| DB_ACCESS_NUMBER | PPIM1051 | | CID | 5710449 | | CHEMBL_ID | CHEMBL1553871 | | NSC_ID | NSC727825 | | PDB_CODE | | | Molecular Weight (g/mol) | 447.08 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 759 | | Topological Polar Surface Area (A^2) | 82 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes (Compositions and methods for inhibiting the enzymatic activity of PTP-1B) | | Off Targets | NFKBIA, Impa1, SMN2, MAPT, THRB | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2825948 | | Predicted Log 10(IC50) values | 4.0654585 | | 2D Structure |  |
Record No:430
|
| DB_ACCESS_NUMBER | PPIM1052 | | CID | 5800494 | | CHEMBL_ID | | | NSC_ID | NSC108889 | | PDB_CODE | | | Molecular Weight (g/mol) | 374.36 | | XLogP3-AA | -0.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 10 | | Complexity | 528 | | Topological Polar Surface Area (A^2) | 52.7 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0673969 | | Predicted Log 10(IC50) values | 3.0692445 | | 2D Structure |  |
Record No:431
|
| DB_ACCESS_NUMBER | PPIM1053 | | CID | 5950593 | | CHEMBL_ID | | | NSC_ID | NSC203347 | | PDB_CODE | | | Molecular Weight (g/mol) | 296.47 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 10 | | Complexity | 217 | | Topological Polar Surface Area (A^2) | 133 | | Heavy Atom Count | 16 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3920826 | | Predicted Log 10(IC50) values | 3.8229657 | | 2D Structure |  |
Record No:432
|
| DB_ACCESS_NUMBER | PPIM1054 | | CID | 5964761 | | CHEMBL_ID | | | NSC_ID | NSC162515 | | PDB_CODE | | | Molecular Weight (g/mol) | 452.10 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 642 | | Topological Polar Surface Area (A^2) | 71.3 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9500237 | | Predicted Log 10(IC50) values | 3.392832 | | 2D Structure |  |
Record No:433
|
| DB_ACCESS_NUMBER | PPIM1055 | | CID | 5988864 | | CHEMBL_ID | | | NSC_ID | NSC128946 | | PDB_CODE | | | Molecular Weight (g/mol) | 500.18 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 5 | | Complexity | 786 | | Topological Polar Surface Area (A^2) | 83.6 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes(useful for the treatment of cancer) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9494845 | | Predicted Log 10(IC50) values | 3.9550184 | | 2D Structure |  |
Record No:434
|
| DB_ACCESS_NUMBER | PPIM1056 | | CID | 60147988 | | CHEMBL_ID | | | NSC_ID | NSC753385 | | PDB_CODE | | | Molecular Weight (g/mol) | 395.27 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 616 | | Topological Polar Surface Area (A^2) | 78.4 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9418916 | | Predicted Log 10(IC50) values | 4.2633545 | | 2D Structure |  |
Record No:435
|
| DB_ACCESS_NUMBER | PPIM1057 | | CID | 60147989 | | CHEMBL_ID | | | NSC_ID | NSC753386 | | PDB_CODE | | | Molecular Weight (g/mol) | 409.30 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 645 | | Topological Polar Surface Area (A^2) | 67.5 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0525951 | | Predicted Log 10(IC50) values | 4.9713574 | | 2D Structure |  |
Record No:436
|
| DB_ACCESS_NUMBER | PPIM1058 | | CID | 6081340 | | CHEMBL_ID | CHEMBL2005063 | | NSC_ID | NSC694681 | | PDB_CODE | | | Molecular Weight (g/mol) | 507.34 | | XLogP3-AA | 3.4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 3 | | Complexity | 783 | | Topological Polar Surface Area (A^2) | 87.2 | | Heavy Atom Count | 28 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2690039 | | Predicted Log 10(IC50) values | 4.2075928 | | 2D Structure |  |
Record No:437
|
| DB_ACCESS_NUMBER | PPIM1059 | | CID | 6098226 | | CHEMBL_ID | | | NSC_ID | NSC105325 | | PDB_CODE | | | Molecular Weight (g/mol) | 404.06 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 530 | | Topological Polar Surface Area (A^2) | 41.5 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.4872647 | | Predicted Log 10(IC50) values | 2.9051183 | | 2D Structure |  |
Record No:438
|
| DB_ACCESS_NUMBER | PPIM1060 | | CID | 61049 | | CHEMBL_ID | | | NSC_ID | NSC4823 | | PDB_CODE | | | Molecular Weight (g/mol) | 384.69 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 5 | | Complexity | 294 | | Topological Polar Surface Area (A^2) | 172 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | yes( FDA approved drug) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.8067768 | | Predicted Log 10(IC50) values | 2.9647044 | | 2D Structure |  |
Record No:439
|
| DB_ACCESS_NUMBER | PPIM1061 | | CID | 6281424 | | CHEMBL_ID | | | NSC_ID | NSC67090 | | PDB_CODE | | | Molecular Weight (g/mol) | 451.11 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 678 | | Topological Polar Surface Area (A^2) | 58.6 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 2 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1354042 | | Predicted Log 10(IC50) values | 4.6043349 | | 2D Structure |  |
Record No:440
|
| DB_ACCESS_NUMBER | PPIM1062 | | CID | 6309276 | | CHEMBL_ID | | | NSC_ID | NSC371183 | | PDB_CODE | | | Molecular Weight (g/mol) | 586.89 | | XLogP3-AA | 7.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 4 | | Complexity | 941 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 37 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9426116 | | Predicted Log 10(IC50) values | 0.51018816 | | 2D Structure |  |
Record No:441
|
| DB_ACCESS_NUMBER | PPIM1063 | | CID | 6330467 | | CHEMBL_ID | | | NSC_ID | NSC312827 | | PDB_CODE | | | Molecular Weight (g/mol) | 543.26 | | XLogP3-AA | 7.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 14 | | Rotatable Bond Count | 0 | | Complexity | 736 | | Topological Polar Surface Area (A^2) | 18.5 | | Heavy Atom Count | 35 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.0431227 | | Predicted Log 10(IC50) values | 3.4603005 | | 2D Structure |  |
Record No:442
|
| DB_ACCESS_NUMBER | PPIM1064 | | CID | 6330534 | | CHEMBL_ID | | | NSC_ID | NSC354409 | | PDB_CODE | | | Molecular Weight (g/mol) | 515.21 | | XLogP3-AA | 6.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 14 | | Rotatable Bond Count | 0 | | Complexity | 678 | | Topological Polar Surface Area (A^2) | 18.5 | | Heavy Atom Count | 33 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2809843 | | Predicted Log 10(IC50) values | 1.6879884 | | 2D Structure |  |
Record No:443
|
| DB_ACCESS_NUMBER | PPIM1065 | | CID | 6332899 | | CHEMBL_ID | | | NSC_ID | NSC155327 | | PDB_CODE | | | Molecular Weight (g/mol) | 534.66 | | XLogP3-AA | 9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 6 | | Complexity | 733 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 38 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 3.1434132 | | Predicted Log 10(IC50) values | 3.2391911 | | 2D Structure |  |
Record No:444
|
| DB_ACCESS_NUMBER | PPIM1066 | | CID | 6344347 | | CHEMBL_ID | | | NSC_ID | NSC727435 | | PDB_CODE | | | Molecular Weight (g/mol) | 374.63 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 608 | | Topological Polar Surface Area (A^2) | 72 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.03389 | | Predicted Log 10(IC50) values | 4.8898053 | | 2D Structure |  |
Record No:445
|
| DB_ACCESS_NUMBER | PPIM1067 | | CID | 6508605 | | CHEMBL_ID | | | NSC_ID | NSC102861 | | PDB_CODE | | | Molecular Weight (g/mol) | 430.21 | | XLogP3-AA | 3.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 1 | | Complexity | 683 | | Topological Polar Surface Area (A^2) | 74.3 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0654432 | | Predicted Log 10(IC50) values | 5.3476837 | | 2D Structure |  |
Record No:446
|
| DB_ACCESS_NUMBER | PPIM1068 | | CID | 6508767 | | CHEMBL_ID | | | NSC_ID | NSC119808 | | PDB_CODE | | | Molecular Weight (g/mol) | 492.05 | | XLogP3-AA | 4.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 638 | | Topological Polar Surface Area (A^2) | 58.2 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 2 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.2291139 | | Predicted Log 10(IC50) values | 1.6369628 | | 2D Structure |  |
Record No:447
|
| DB_ACCESS_NUMBER | PPIM1069 | | CID | 6508783 | | CHEMBL_ID | | | NSC_ID | NSC120680 | | PDB_CODE | | | Molecular Weight (g/mol) | 550.13 | | XLogP3-AA | 6 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 668 | | Topological Polar Surface Area (A^2) | 41.5 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.222301 | | Predicted Log 10(IC50) values | 0.47688514 | | 2D Structure |  |
Record No:448
|
| DB_ACCESS_NUMBER | PPIM1070 | | CID | 66219 | | CHEMBL_ID | | | NSC_ID | NSC97579 | | PDB_CODE | | | Molecular Weight (g/mol) | 372.41 | | XLogP3-AA | -5.2 | | Hydrogen Bond Donor Count | 8 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 16 | | Complexity | 282 | | Topological Polar Surface Area (A^2) | 180 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | 21375296 | | Protein-Protein Interaction Modulator SVM score | 2.4851094 | | Predicted Log 10(IC50) values | 2.953809 | | 2D Structure |  |
Record No:449
|
| DB_ACCESS_NUMBER | PPIM1071 | | CID | 66926 | | CHEMBL_ID | CHEMBL332367 | | NSC_ID | NSC5239 | | PDB_CODE | | | Molecular Weight (g/mol) | 298.49 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 11 | | Complexity | 187 | | Topological Polar Surface Area (A^2) | 133 | | Heavy Atom Count | 16 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No (toxic) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | 8809151 | | Protein-Protein Interaction Modulator SVM score | 2.5061298 | | Predicted Log 10(IC50) values | 3.6174756 | | 2D Structure |  |
Record No:450
|
| DB_ACCESS_NUMBER | PPIM1072 | | CID | 6712350 | | CHEMBL_ID | CHEMBL1991916 | | NSC_ID | NSC672229 | | PDB_CODE | | | Molecular Weight (g/mol) | 517.37 | | XLogP3-AA | 2.6 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 858 | | Topological Polar Surface Area (A^2) | 95.5 | | Heavy Atom Count | 34 | | Defined Atom Stereocenter Count | 5 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.335862 | | Predicted Log 10(IC50) values | 2.2274609 | | 2D Structure |  |
Record No:451
|
| DB_ACCESS_NUMBER | PPIM1073 | | CID | 6712782 | | CHEMBL_ID | CHEMBL1972794 | | NSC_ID | NSC711474 | | PDB_CODE | | | Molecular Weight (g/mol) | 526.40 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 4 | | Complexity | 878 | | Topological Polar Surface Area (A^2) | 91.4 | | Heavy Atom Count | 35 | | Defined Atom Stereocenter Count | 5 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0092192 | | Predicted Log 10(IC50) values | 2.312617 | | 2D Structure |  |
Record No:452
|
| DB_ACCESS_NUMBER | PPIM1074 | | CID | 67548 | | CHEMBL_ID | | | NSC_ID | NSC521191 | | PDB_CODE | | | Molecular Weight (g/mol) | 532.12 | | XLogP3-AA | 6.4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 21 | | Rotatable Bond Count | 10 | | Complexity | 677 | | Topological Polar Surface Area (A^2) | 20.2 | | Heavy Atom Count | 32 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No (toxic) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1079245 | | Predicted Log 10(IC50) values | 1.2714067 | | 2D Structure |  |
Record No:453
|
| DB_ACCESS_NUMBER | PPIM1075 | | CID | 68203 | | CHEMBL_ID | | | NSC_ID | NSC16080 | | PDB_CODE | | | Molecular Weight (g/mol) | 532.68 | | XLogP3-AA | 12.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 4 | | Complexity | 696 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 42 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No (toxic) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | 6241697, 767685 | | Protein-Protein Interaction Modulator SVM score | 2.5258503 | | Predicted Log 10(IC50) values | 2.3671082 | | 2D Structure |  |
Record No:454
|
| DB_ACCESS_NUMBER | PPIM1076 | | CID | 69595 | | CHEMBL_ID | | | NSC_ID | NSC76699 | | PDB_CODE | | | Molecular Weight (g/mol) | 93.089 | | XLogP3-AA | -0.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 154 | | Topological Polar Surface Area (A^2) | 73.6 | | Heavy Atom Count | 7 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes(useful for the treatment of cancer) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.5723847 | | Predicted Log 10(IC50) values | 0.78661171 | | 2D Structure |  |
Record No:455
|
| DB_ACCESS_NUMBER | PPIM1077 | | CID | 72753 | | CHEMBL_ID | | | NSC_ID | NSC6 | | PDB_CODE | | | Molecular Weight (g/mol) | 490.10 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 2 | | Complexity | 768 | | Topological Polar Surface Area (A^2) | 83.8 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3355914 | | Predicted Log 10(IC50) values | 4.2205607 | | 2D Structure |  |
Record No:456
|
| DB_ACCESS_NUMBER | PPIM1078 | | CID | 78115 | | CHEMBL_ID | | | NSC_ID | NSC38369 | | PDB_CODE | | | Molecular Weight (g/mol) | 390.44 | | XLogP3-AA | -2.8 | | Hydrogen Bond Donor Count | 6 | | Hydrogen Bond Acceptor Count | 12 | | Rotatable Bond Count | 15 | | Complexity | 289 | | Topological Polar Surface Area (A^2) | 170 | | Heavy Atom Count | 27 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.769828 | | Predicted Log 10(IC50) values | 2.9687113 | | 2D Structure |  |
Record No:457
|
| DB_ACCESS_NUMBER | PPIM1079 | | CID | 81345 | | CHEMBL_ID | | | NSC_ID | NSC403348 | | PDB_CODE | | | Molecular Weight (g/mol) | 402.49 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 12 | | Complexity | 280 | | Topological Polar Surface Area (A^2) | 177 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.8575213 | | Predicted Log 10(IC50) values | 2.9601828 | | 2D Structure |  |
Record No:458
|
| DB_ACCESS_NUMBER | PPIM1080 | | CID | 84720 | | CHEMBL_ID | | | NSC_ID | NSC280436 | | PDB_CODE | | | Molecular Weight (g/mol) | 266.49 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 132 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 14 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1556966 | | Predicted Log 10(IC50) values | 3.2179319 | | 2D Structure |  |
Record No:459
|
| DB_ACCESS_NUMBER | PPIM1081 | | CID | 94861 | | CHEMBL_ID | | | NSC_ID | NSC5434 | | PDB_CODE | | | Molecular Weight (g/mol) | 246.4 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 6 | | Complexity | 113 | | Topological Polar Surface Area (A^2) | 108 | | Heavy Atom Count | 11 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3036958 | | Predicted Log 10(IC50) values | 2.8759558 | | 2D Structure |  |
Record No:460
|
| DB_ACCESS_NUMBER | PPIM1082 | | CID | 9554599 | | CHEMBL_ID | | | NSC_ID | NSC160087 | | PDB_CODE | | | Molecular Weight (g/mol) | 388.35 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 2 | | Complexity | 575 | | Topological Polar Surface Area (A^2) | 45.1 | | Heavy Atom Count | 26 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9340202 | | Predicted Log 10(IC50) values | 3.4989483 | | 2D Structure |  |
Record No:461
|
| DB_ACCESS_NUMBER | PPIM1083 | | CID | 9572355 | | CHEMBL_ID | CHEMBL2006584 | | NSC_ID | NSC713026 | | PDB_CODE | | | Molecular Weight (g/mol) | 538.51 | | XLogP3-AA | 5.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 9 | | Complexity | 851 | | Topological Polar Surface Area (A^2) | 99.4 | | Heavy Atom Count | 32 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9555945 | | Predicted Log 10(IC50) values | 1.9791557 | | 2D Structure |  |
Record No:462
|
| DB_ACCESS_NUMBER | PPIM1084 | | CID | 98406 | | CHEMBL_ID | | | NSC_ID | NSC122963 | | PDB_CODE | | | Molecular Weight (g/mol) | 382.91 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 1 | | Rotatable Bond Count | 0 | | Complexity | 518 | | Topological Polar Surface Area (A^2) | 20.2 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.1755092 | | Predicted Log 10(IC50) values | 3.767151 | | 2D Structure |  |
Record No:463
|
| DB_ACCESS_NUMBER | PPIM1085 | | CID | 98407 | | CHEMBL_ID | | | NSC_ID | NSC123105 | | PDB_CODE | | | Molecular Weight (g/mol) | 335.31 | | XLogP3-AA | -1.8 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 4 | | Complexity | 756 | | Topological Polar Surface Area (A^2) | 141 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.9166634 | | Predicted Log 10(IC50) values | 4.8269418 | | 2D Structure |  |
Record No:464
|
| DB_ACCESS_NUMBER | PPIM1086 | | CID | 99547 | | CHEMBL_ID | | | NSC_ID | NSC240585 | | PDB_CODE | | | Molecular Weight (g/mol) | 414.14 | | XLogP3-AA | 6.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 2 | | Complexity | 382 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0166495 | | Predicted Log 10(IC50) values | 3.6559803 | | 2D Structure |  |
Record No:465
|
| DB_ACCESS_NUMBER | PPIM1087 | | CID | 5845 | | CHEMBL_ID | CHEMBL25805 | | NSC_ID | NSC26812 | | PDB_CODE | | | Molecular Weight (g/mol) | 387.30 | | XLogP3-AA | 0.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 6 | | Complexity | 592 | | Topological Polar Surface Area (A^2) | 55.1 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes(FDA UNII Drug FOR THE PRODUCTION OF HIGH ENERGY MATERIAL) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | 14163772, 14002 | | Protein-Protein Interaction Modulator SVM score | 2.0858008 | | Predicted Log 10(IC50) values | 4.1129568 | | 2D Structure |  |
Record No:466
|
| DB_ACCESS_NUMBER | PPIM1088 | | CID | 8265 | | CHEMBL_ID | CHEMBL3183752 | | NSC_ID | NSC22229 | | PDB_CODE | | | Molecular Weight (g/mol) | 370.81 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 498 | | Topological Polar Surface Area (A^2) | 43.4 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No (toxic) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3198531 | | Predicted Log 10(IC50) values | 2.9862376 | | 2D Structure |  |
Record No:467
|
| DB_ACCESS_NUMBER | PPIM1089 | | CID | 21961 | | CHEMBL_ID | | | NSC_ID | NSC96915 | | PDB_CODE | | | Molecular Weight (g/mol) | 427.03 | | XLogP3-AA | 5.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 2 | | Complexity | 371 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No (toxic) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.15504 | | Predicted Log 10(IC50) values | 3.5679098 | | 2D Structure |  |
Record No:468
|
| DB_ACCESS_NUMBER | PPIM1090 | | CID | 23403 | | CHEMBL_ID | CHEMBL1697775 | | NSC_ID | NSC66316 | | PDB_CODE | | | Molecular Weight (g/mol) | 294.51 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 15 | | Complexity | 130 | | Topological Polar Surface Area (A^2) | 91.1 | | Heavy Atom Count | 18 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes(useful for the treatment of cancer) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | 538065, 540479, | | Protein-Protein Interaction Modulator SVM score | 2.0531179 | | Predicted Log 10(IC50) values | 3.2205221 | | 2D Structure |  |
Record No:469
|
| DB_ACCESS_NUMBER | PPIM1091 | | CID | 43584 | | CHEMBL_ID | | | NSC_ID | NSC59106 | | PDB_CODE | | | Molecular Weight (g/mol) | 382.86 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 519 | | Topological Polar Surface Area (A^2) | 21.8 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.3077117 | | Predicted Log 10(IC50) values | 3.7238781 | | 2D Structure |  |
Record No:470
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| DB_ACCESS_NUMBER | PPIM1092 | | CID | 275856 | | CHEMBL_ID | | | NSC_ID | NSC122953 | | PDB_CODE | | | Molecular Weight (g/mol) | 571.54 | | XLogP3-AA | 6.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 0 | | Rotatable Bond Count | 0 | | Complexity | 768 | | Topological Polar Surface Area (A^2) | 0 | | Heavy Atom Count | 24 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.492523 | | Predicted Log 10(IC50) values | 4.377024 | | 2D Structure |  |
Record No:471
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| DB_ACCESS_NUMBER | PPIM1093 | | CID | 300560 | | CHEMBL_ID | | | NSC_ID | NSC175434 | | PDB_CODE | | | Molecular Weight (g/mol) | 268.51 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 92.7 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 14 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | Yes(AGENTS FOR THERAPEUTIC RADIOPHARMACEUTICALS) | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | 11403604, 15480 | | Protein-Protein Interaction Modulator SVM score | 2.4710825 | | Predicted Log 10(IC50) values | 2.9065321 | | 2D Structure |  |
Record No:472
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| DB_ACCESS_NUMBER | PPIM1094 | | CID | 371792 | | CHEMBL_ID | | | NSC_ID | NSC646236 | | PDB_CODE | | | Molecular Weight (g/mol) | 406.07 | | XLogP3-AA | 1.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 533 | | Topological Polar Surface Area (A^2) | 36.9 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.7908192 | | Predicted Log 10(IC50) values | 3.1065541 | | 2D Structure |  |
Record No:473
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| DB_ACCESS_NUMBER | PPIM1095 | | CID | 5472466 | | CHEMBL_ID | | | NSC_ID | NSC719147 | | PDB_CODE | | | Molecular Weight (g/mol) | 666.75 | | XLogP3-AA | 9.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 6 | | Complexity | 978 | | Topological Polar Surface Area (A^2) | 90.7 | | Heavy Atom Count | 41 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Mdm2/P53 | | Clinical Application | No | | Off Targets | NA | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 2.0912406 | | Predicted Log 10(IC50) values | 1.8928391 | | 2D Structure |  |
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