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Record No:1
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| DB_ACCESS_NUMBER | PPIM1995 | | CID | 100113 | | CHEMBL_ID | | | NSC_ID | NSC334302 | | PDB_CODE | | | Molecular Weight (g/mol) | 468.55 | | XLogP3-AA | 4.5 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 12 | | Complexity | 684 | | Topological Polar Surface Area (A^2) | 114 | | 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 | Bcl2/Bak | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4763073 | | Predicted Log 10(IC50) values | 4.8715466 | | 2D Structure |  |
Record No:2
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| DB_ACCESS_NUMBER | PPIM1996 | | CID | 10067489 | | CHEMBL_ID | | | NSC_ID | NSC760103 | | PDB_CODE | | | Molecular Weight (g/mol) | 366.50 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 828 | | Topological Polar Surface Area (A^2) | 43.4 | | Heavy Atom Count | 27 | | 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 | Bcl2/Bak | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | Ar, PGR, CFTR | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4919513 | | Predicted Log 10(IC50) values | 4.6040845 | | 2D Structure |  |
Record No:3
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| DB_ACCESS_NUMBER | PPIM1997 | | CID | 10184653 | | CHEMBL_ID | CHEMBL1173655 | | NSC_ID | NSC750691 | | PDB_CODE | | | Molecular Weight (g/mol) | 485.94 | | XLogP3-AA | 3.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 8 | | Complexity | 702 | | Topological Polar Surface Area (A^2) | 88.6 | | Heavy Atom Count | 34 | | Defined Atom Stereocenter Count | 1 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 0.023 | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | Yes (FDA approved clinically passed drug) | | Off Targets | ERBB2, ERBB4, ABCG2, EGFR | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4102605 | | Predicted Log 10(IC50) values | 4.7626383 | | 2D Structure |  |
Record No:4
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| DB_ACCESS_NUMBER | PPIM1998 | | CID | 111337 | | CHEMBL_ID | | | NSC_ID | NSC49006 | | PDB_CODE | | | Molecular Weight (g/mol) | 300.39 | | XLogP3-AA | 2.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 616 | | Topological Polar Surface Area (A^2) | 54.4 | | Heavy Atom Count | 22 | | 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 | Bcl2/Bak | | Clinical Application | Yes (FDA approved clinically passed drug) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4144349 | | Predicted Log 10(IC50) values | 5.3819494 | | 2D Structure |  |
Record No:5
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| DB_ACCESS_NUMBER | PPIM1999 | | CID | 11969551 | | CHEMBL_ID | | | NSC_ID | NSC152182 | | PDB_CODE | | | Molecular Weight (g/mol) | 266.3 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 623 | | Topological Polar Surface Area (A^2) | 43.2 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 4 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.8404885 | | Predicted Log 10(IC50) values | 5.5101151 | | 2D Structure |  |
Record No:6
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| DB_ACCESS_NUMBER | PPIM2000 | | CID | 14952715 | | CHEMBL_ID | | | NSC_ID | NSC734194 | | PDB_CODE | | | Molecular Weight (g/mol) | 268.27 | | XLogP3-AA | 1.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 672 | | Topological Polar Surface Area (A^2) | 62.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5067531 | | Predicted Log 10(IC50) values | 5.2715514 | | 2D Structure |  |
Record No:7
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| DB_ACCESS_NUMBER | PPIM2001 | | CID | 16092408 | | CHEMBL_ID | | | NSC_ID | NSC734050 | | PDB_CODE | | | Molecular Weight (g/mol) | 479.39 | | XLogP3-AA | 6.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 6 | | Complexity | 672 | | Topological Polar Surface Area (A^2) | 106 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5470323 | | Predicted Log 10(IC50) values | 4.8673236 | | 2D Structure |  |
Record No:8
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| DB_ACCESS_NUMBER | PPIM2002 | | CID | 16092412 | | CHEMBL_ID | | | NSC_ID | NSC731398 | | PDB_CODE | | | Molecular Weight (g/mol) | 461.00 | | XLogP3-AA | 6.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 6 | | Complexity | 638 | | Topological Polar Surface Area (A^2) | 121 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4546024 | | Predicted Log 10(IC50) values | 4.9308979 | | 2D Structure |  |
Record No:9
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| DB_ACCESS_NUMBER | PPIM2003 | | CID | 16092414 | | CHEMBL_ID | | | NSC_ID | NSC734040 | | PDB_CODE | | | Molecular Weight (g/mol) | 457.99 | | XLogP3-AA | 5.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 6 | | Complexity | 668 | | Topological Polar Surface Area (A^2) | 109 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4228003 | | Predicted Log 10(IC50) values | 4.8951363 | | 2D Structure |  |
Record No:10
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| DB_ACCESS_NUMBER | PPIM2004 | | CID | 16092428 | | CHEMBL_ID | | | NSC_ID | NSC734041 | | PDB_CODE | | | Molecular Weight (g/mol) | 457.99 | | XLogP3-AA | 5.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 6 | | Complexity | 668 | | Topological Polar Surface Area (A^2) | 109 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4228003 | | Predicted Log 10(IC50) values | 4.8951363 | | 2D Structure |  |
Record No:11
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| DB_ACCESS_NUMBER | PPIM2005 | | CID | 16667705 | | CHEMBL_ID | | | NSC_ID | NSC758907 | | PDB_CODE | | | Molecular Weight (g/mol) | 296.41 | | XLogP3-AA | 3.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 653 | | Topological Polar Surface Area (A^2) | 34.1 | | Heavy Atom Count | 22 | | 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 | Bcl2/Bak | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4716423 | | Predicted Log 10(IC50) values | 5.3743796 | | 2D Structure |  |
Record No:12
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| DB_ACCESS_NUMBER | PPIM2006 | | CID | 17757571 | | CHEMBL_ID | | | NSC_ID | NSC745314 | | PDB_CODE | | | Molecular Weight (g/mol) | 356.20 | | XLogP3-AA | 3.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 818 | | Topological Polar Surface Area (A^2) | 44.7 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6040961 | | Predicted Log 10(IC50) values | 4.6465203 | | 2D Structure |  |
Record No:13
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| DB_ACCESS_NUMBER | PPIM2007 | | CID | 182193 | | CHEMBL_ID | | | NSC_ID | NSC159629 | | PDB_CODE | | | Molecular Weight (g/mol) | 363.41 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 799 | | Topological Polar Surface Area (A^2) | 69.7 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4786087 | | Predicted Log 10(IC50) values | 4.7235543 | | 2D Structure |  |
Record No:14
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| DB_ACCESS_NUMBER | PPIM2008 | | CID | 188044 | | CHEMBL_ID | | | NSC_ID | NSC136954 | | PDB_CODE | | | Molecular Weight (g/mol) | 470.51 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 13 | | Complexity | 660 | | Topological Polar Surface Area (A^2) | 105 | | 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 | Bcl2/Bak | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5412404 | | Predicted Log 10(IC50) values | 4.8922226 | | 2D Structure |  |
Record No:15
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| DB_ACCESS_NUMBER | PPIM2009 | | CID | 219975 | | CHEMBL_ID | | | NSC_ID | NSC1950 | | PDB_CODE | | | Molecular Weight (g/mol) | 466.48 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 14 | | Complexity | 672 | | Topological Polar Surface Area (A^2) | 124 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4640134 | | Predicted Log 10(IC50) values | 4.9131517 | | 2D Structure |  |
Record No:16
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| DB_ACCESS_NUMBER | PPIM2010 | | CID | 223249 | | CHEMBL_ID | | | NSC_ID | NSC10712 | | PDB_CODE | | | Molecular Weight (g/mol) | 465.56 | | XLogP3-AA | 3.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 13 | | Complexity | 644 | | Topological Polar Surface Area (A^2) | 111 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.41006 | | Predicted Log 10(IC50) values | 4.9192832 | | 2D Structure |  |
Record No:17
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| DB_ACCESS_NUMBER | PPIM2011 | | CID | 223997 | | CHEMBL_ID | CHEMBL485683 | | NSC_ID | NSC12166 | | PDB_CODE | | | Molecular Weight (g/mol) | 300.39 | | XLogP3-AA | 1.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 616 | | Topological Polar Surface Area (A^2) | 51.2 | | Heavy Atom Count | 22 | | 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 | Bcl2/Bak | | Clinical Application | Yes (FDA approved clinically passed drug) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | 28472487 | | Protein-Protein Interaction Modulator SVM score | 1.4150677 | | Predicted Log 10(IC50) values | 5.3940396 | | 2D Structure |  |
Record No:18
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| DB_ACCESS_NUMBER | PPIM2012 | | CID | 225724 | | CHEMBL_ID | | | NSC_ID | NSC15425 | | PDB_CODE | | | Molecular Weight (g/mol) | 342.43 | | XLogP3-AA | 1.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 770 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4898737 | | Predicted Log 10(IC50) values | 4.8299839 | | 2D Structure |  |
Record No:19
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| DB_ACCESS_NUMBER | PPIM2013 | | CID | 226469 | | CHEMBL_ID | | | NSC_ID | NSC16916 | | PDB_CODE | | | Molecular Weight (g/mol) | 300.39 | | XLogP3-AA | 2.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 629 | | Topological Polar Surface Area (A^2) | 54.4 | | Heavy Atom Count | 22 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4200696 | | Predicted Log 10(IC50) values | 5.3548258 | | 2D Structure |  |
Record No:20
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| DB_ACCESS_NUMBER | PPIM2014 | | CID | 233377 | | CHEMBL_ID | | | NSC_ID | NSC31862 | | PDB_CODE | | | Molecular Weight (g/mol) | 484.62 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 13 | | Complexity | 659 | | Topological Polar Surface Area (A^2) | 110 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4934948 | | Predicted Log 10(IC50) values | 4.8899938 | | 2D Structure |  |
Record No:21
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| DB_ACCESS_NUMBER | PPIM2015 | | CID | 233524 | | CHEMBL_ID | | | NSC_ID | NSC32096 | | PDB_CODE | | | Molecular Weight (g/mol) | 456.57 | | XLogP3-AA | 3.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 11 | | Complexity | 635 | | Topological Polar Surface Area (A^2) | 128 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.40374 | | Predicted Log 10(IC50) values | 4.9368768 | | 2D Structure |  |
Record No:22
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| DB_ACCESS_NUMBER | PPIM2016 | | CID | 235314 | | CHEMBL_ID | | | NSC_ID | NSC36558 | | PDB_CODE | | | Molecular Weight (g/mol) | 298.34 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 612 | | Topological Polar Surface Area (A^2) | 41.5 | | 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 | Bcl2/Bak | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4242539 | | Predicted Log 10(IC50) values | 5.4368959 | | 2D Structure |  |
Record No:23
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| DB_ACCESS_NUMBER | PPIM2017 | | CID | 237944 | | CHEMBL_ID | | | NSC_ID | NSC42037 | | PDB_CODE | | | Molecular Weight (g/mol) | 288.34 | | XLogP3-AA | 2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 648 | | Topological Polar Surface Area (A^2) | 52.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5899193 | | Predicted Log 10(IC50) values | 5.3448764 | | 2D Structure |  |
Record No:24
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| DB_ACCESS_NUMBER | PPIM2018 | | CID | 238205 | | CHEMBL_ID | | | NSC_ID | NSC42484 | | PDB_CODE | | | Molecular Weight (g/mol) | 484.46 | | XLogP3-AA | 5.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 8 | | Complexity | 659 | | Topological Polar Surface Area (A^2) | 127 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4939917 | | Predicted Log 10(IC50) values | 4.9102793 | | 2D Structure |  |
Record No:25
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| DB_ACCESS_NUMBER | PPIM2019 | | CID | 239595 | | CHEMBL_ID | CHEMBL3799363 | | NSC_ID | NSC44826 | | PDB_CODE | | | Molecular Weight (g/mol) | 284.39 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 597 | | Topological Polar Surface Area (A^2) | 34.1 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 4 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 250 | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | Yes (FDA approved clinically passed drug) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | 28391482 | | Protein-Protein Interaction Modulator SVM score | 1.5626137 | | Predicted Log 10(IC50) values | 5.5495021 | | 2D Structure |  |
Record No:26
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| DB_ACCESS_NUMBER | PPIM2020 | | CID | 240036 | | CHEMBL_ID | | | NSC_ID | NSC45904 | | PDB_CODE | | | Molecular Weight (g/mol) | 300.39 | | XLogP3-AA | 1.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 635 | | Topological Polar Surface Area (A^2) | 46.7 | | Heavy Atom Count | 22 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4679199 | | Predicted Log 10(IC50) values | 5.373505 | | 2D Structure |  |
Record No:27
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| DB_ACCESS_NUMBER | PPIM2021 | | CID | 240986 | | CHEMBL_ID | | | NSC_ID | NSC48014 | | PDB_CODE | | | Molecular Weight (g/mol) | 300.39 | | XLogP3-AA | 2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 631 | | Topological Polar Surface Area (A^2) | 54.4 | | Heavy Atom Count | 22 | | 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 | Bcl2/Bak | | Clinical Application | Yes (FDA approved clinically passed drug) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4170623 | | Predicted Log 10(IC50) values | 5.3503877 | | 2D Structure |  |
Record No:28
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| DB_ACCESS_NUMBER | PPIM2022 | | CID | 241149 | | CHEMBL_ID | | | NSC_ID | NSC48285 | | PDB_CODE | | | Molecular Weight (g/mol) | 476.48 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 10 | | Complexity | 706 | | Topological Polar Surface Area (A^2) | 97.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4040542 | | Predicted Log 10(IC50) values | 4.7978073 | | 2D Structure |  |
Record No:29
|
| DB_ACCESS_NUMBER | PPIM2023 | | CID | 241400 | | CHEMBL_ID | | | NSC_ID | NSC48709 | | PDB_CODE | | | Molecular Weight (g/mol) | 488.58 | | XLogP3-AA | 6.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 10 | | Complexity | 711 | | Topological Polar Surface Area (A^2) | 78.9 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4070388 | | Predicted Log 10(IC50) values | 4.7015688 | | 2D Structure |  |
Record No:30
|
| DB_ACCESS_NUMBER | PPIM2024 | | CID | 241533 | | CHEMBL_ID | | | NSC_ID | NSC48995 | | PDB_CODE | | | Molecular Weight (g/mol) | 374.45 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 817 | | Topological Polar Surface Area (A^2) | 63.6 | | Heavy Atom Count | 27 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4329133 | | Predicted Log 10(IC50) values | 4.6686317 | | 2D Structure |  |
Record No:31
|
| DB_ACCESS_NUMBER | PPIM2025 | | CID | 241544 | | CHEMBL_ID | | | NSC_ID | NSC49005 | | PDB_CODE | | | Molecular Weight (g/mol) | 300.39 | | XLogP3-AA | 1.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 631 | | Topological Polar Surface Area (A^2) | 54.4 | | Heavy Atom Count | 22 | | 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 | Bcl2/Bak | | Clinical Application | Yes (useful for the treatment of cancer and tuberculosis ) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | 28288625 | | Protein-Protein Interaction Modulator SVM score | 1.4154632 | | Predicted Log 10(IC50) values | 5.3502566 | | 2D Structure |  |
Record No:32
|
| DB_ACCESS_NUMBER | PPIM2026 | | CID | 241778 | | CHEMBL_ID | | | NSC_ID | NSC49642 | | PDB_CODE | | | Molecular Weight (g/mol) | 274.31 | | XLogP3-AA | 0.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 626 | | Topological Polar Surface Area (A^2) | 71.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4964307 | | Predicted Log 10(IC50) values | 5.3435219 | | 2D Structure |  |
Record No:33
|
| DB_ACCESS_NUMBER | PPIM2027 | | CID | 24189184 | | CHEMBL_ID | | | NSC_ID | NSC85408 | | PDB_CODE | | | Molecular Weight (g/mol) | 340.46 | | XLogP3-AA | 5.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 768 | | Topological Polar Surface Area (A^2) | 68.3 | | Heavy Atom Count | 25 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.420608 | | Predicted Log 10(IC50) values | 4.8401895 | | 2D Structure |  |
Record No:34
|
| DB_ACCESS_NUMBER | PPIM2028 | | CID | 24203954 | | CHEMBL_ID | | | NSC_ID | NSC730257 | | PDB_CODE | | | Molecular Weight (g/mol) | 468.59 | | XLogP3-AA | 6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 6 | | Complexity | 638 | | Topological Polar Surface Area (A^2) | 123 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4677317 | | Predicted Log 10(IC50) values | 4.9239178 | | 2D Structure |  |
Record No:35
|
| DB_ACCESS_NUMBER | PPIM2029 | | CID | 24204185 | | CHEMBL_ID | | | NSC_ID | NSC730917 | | PDB_CODE | | | Molecular Weight (g/mol) | 489.50 | | XLogP3-AA | 1.5 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 13 | | Complexity | 663 | | Topological Polar Surface Area (A^2) | 123 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.420405 | | Predicted Log 10(IC50) values | 4.8949686 | | 2D Structure |  |
Record No:36
|
| DB_ACCESS_NUMBER | PPIM2030 | | CID | 24204303 | | CHEMBL_ID | | | NSC_ID | NSC731289 | | PDB_CODE | | | Molecular Weight (g/mol) | 758.82 | | XLogP3-AA | -0.4 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 12 | | Rotatable Bond Count | 14 | | Complexity | 1350 | | Topological Polar Surface Area (A^2) | 174 | | Heavy Atom Count | 56 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4003953 | | Predicted Log 10(IC50) values | 3.373414 | | 2D Structure |  |
Record No:37
|
| DB_ACCESS_NUMBER | PPIM2031 | | CID | 24204377 | | CHEMBL_ID | | | NSC_ID | NSC731621 | | PDB_CODE | | | Molecular Weight (g/mol) | 474.37 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 7 | | Complexity | 663 | | Topological Polar Surface Area (A^2) | 95.7 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4104349 | | Predicted Log 10(IC50) values | 4.8643255 | | 2D Structure |  |
Record No:38
|
| DB_ACCESS_NUMBER | PPIM2032 | | CID | 24204596 | | CHEMBL_ID | | | NSC_ID | NSC732282 | | PDB_CODE | | | Molecular Weight (g/mol) | 496.44 | | XLogP3-AA | 2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 13 | | Complexity | 674 | | Topological Polar Surface Area (A^2) | 115 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4384283 | | Predicted Log 10(IC50) values | 4.8695775 | | 2D Structure |  |
Record No:39
|
| DB_ACCESS_NUMBER | PPIM2033 | | CID | 24204787 | | CHEMBL_ID | | | NSC_ID | NSC732945 | | PDB_CODE | | | Molecular Weight (g/mol) | 494.39 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 6 | | Complexity | 690 | | Topological Polar Surface Area (A^2) | 105 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4552259 | | Predicted Log 10(IC50) values | 4.8169813 | | 2D Structure |  |
Record No:40
|
| DB_ACCESS_NUMBER | PPIM2034 | | CID | 24204790 | | CHEMBL_ID | | | NSC_ID | NSC732948 | | PDB_CODE | | | Molecular Weight (g/mol) | 477.93 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 6 | | Complexity | 692 | | Topological Polar Surface Area (A^2) | 105 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4453454 | | Predicted Log 10(IC50) values | 4.8396194 | | 2D Structure |  |
Record No:41
|
| DB_ACCESS_NUMBER | PPIM2035 | | CID | 24204844 | | CHEMBL_ID | | | NSC_ID | NSC733085 | | PDB_CODE | | | Molecular Weight (g/mol) | 483.34 | | XLogP3-AA | 4.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 6 | | Complexity | 650 | | Topological Polar Surface Area (A^2) | 124 | | Heavy Atom Count | 30 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4096851 | | Predicted Log 10(IC50) values | 4.9167092 | | 2D Structure |  |
Record No:42
|
| DB_ACCESS_NUMBER | PPIM2036 | | CID | 24205620 | | CHEMBL_ID | | | NSC_ID | NSC736274 | | PDB_CODE | | | Molecular Weight (g/mol) | 454.49 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 11 | | Complexity | 634 | | Topological Polar Surface Area (A^2) | 132 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4229359 | | Predicted Log 10(IC50) values | 4.9362558 | | 2D Structure |  |
Record No:43
|
| DB_ACCESS_NUMBER | PPIM2037 | | CID | 24205768 | | CHEMBL_ID | | | NSC_ID | NSC736602 | | PDB_CODE | | | Molecular Weight (g/mol) | 471.73 | | XLogP3-AA | 5.3 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 6 | | Complexity | 655 | | Topological Polar Surface Area (A^2) | 109 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.480556 | | Predicted Log 10(IC50) values | 4.8991748 | | 2D Structure |  |
Record No:44
|
| DB_ACCESS_NUMBER | PPIM2038 | | CID | 243942 | | CHEMBL_ID | | | NSC_ID | NSC54244 | | PDB_CODE | | | Molecular Weight (g/mol) | 456.52 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 8 | | Complexity | 660 | | Topological Polar Surface Area (A^2) | 122 | | Heavy Atom Count | 30 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4152575 | | Predicted Log 10(IC50) values | 4.9253347 | | 2D Structure |  |
Record No:45
|
| DB_ACCESS_NUMBER | PPIM2039 | | CID | 244720 | | CHEMBL_ID | | | NSC_ID | NSC55821 | | PDB_CODE | | | Molecular Weight (g/mol) | 468.54 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 14 | | Complexity | 661 | | Topological Polar Surface Area (A^2) | 96 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4342859 | | Predicted Log 10(IC50) values | 4.8772129 | | 2D Structure |  |
Record No:46
|
| DB_ACCESS_NUMBER | PPIM2040 | | CID | 245352 | | CHEMBL_ID | | | NSC_ID | NSC57294 | | PDB_CODE | | | Molecular Weight (g/mol) | 506.55 | | XLogP3-AA | 5.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 13 | | Complexity | 712 | | Topological Polar Surface Area (A^2) | 86.7 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4003411 | | Predicted Log 10(IC50) values | 4.6816556 | | 2D Structure |  |
Record No:47
|
| DB_ACCESS_NUMBER | PPIM2041 | | CID | 245972 | | CHEMBL_ID | | | NSC_ID | NSC58503 | | PDB_CODE | | | Molecular Weight (g/mol) | 501.62 | | XLogP3-AA | 7.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 12 | | Complexity | 712 | | Topological Polar Surface Area (A^2) | 86.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4398258 | | Predicted Log 10(IC50) values | 4.6890672 | | 2D Structure |  |
Record No:48
|
| DB_ACCESS_NUMBER | PPIM2042 | | CID | 248585 | | CHEMBL_ID | | | NSC_ID | NSC65893 | | PDB_CODE | | | Molecular Weight (g/mol) | 298.42 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 626 | | Topological Polar Surface Area (A^2) | 34.1 | | Heavy Atom Count | 22 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5494604 | | Predicted Log 10(IC50) values | 5.4447351 | | 2D Structure |  |
Record No:49
|
| DB_ACCESS_NUMBER | PPIM2043 | | CID | 249050 | | CHEMBL_ID | | | NSC_ID | NSC66997 | | PDB_CODE | | | Molecular Weight (g/mol) | 298.42 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 626 | | Topological Polar Surface Area (A^2) | 34.1 | | Heavy Atom Count | 22 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5548055 | | Predicted Log 10(IC50) values | 5.4452266 | | 2D Structure |  |
Record No:50
|
| DB_ACCESS_NUMBER | PPIM2044 | | CID | 24936159 | | CHEMBL_ID | | | NSC_ID | NSC742257 | | PDB_CODE | | | Molecular Weight (g/mol) | 469.54 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 6 | | Complexity | 682 | | Topological Polar Surface Area (A^2) | 93.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4568298 | | Predicted Log 10(IC50) values | 4.8361942 | | 2D Structure |  |
Record No:51
|
| DB_ACCESS_NUMBER | PPIM2045 | | CID | 251643 | | CHEMBL_ID | | | NSC_ID | NSC 72274, | | PDB_CODE | | | Molecular Weight (g/mol) | 474.51 | | XLogP3-AA | 1.8 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 8 | | Complexity | 669 | | Topological Polar Surface Area (A^2) | 128 | | Heavy Atom Count | 34 | | 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 | Bcl2/Bak | | Clinical Application | Yes (FDA approved clinically passed drug) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4276877 | | Predicted Log 10(IC50) values | 4.9123016 | | 2D Structure |  |
Record No:52
|
| DB_ACCESS_NUMBER | PPIM2046 | | CID | 251861 | | CHEMBL_ID | | | NSC_ID | NSC72814 | | PDB_CODE | | | Molecular Weight (g/mol) | 498.46 | | XLogP3-AA | 6.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 11 | | Complexity | 713 | | Topological Polar Surface Area (A^2) | 97.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4305269 | | Predicted Log 10(IC50) values | 4.7447037 | | 2D Structure |  |
Record No:53
|
| DB_ACCESS_NUMBER | PPIM2047 | | CID | 251863 | | CHEMBL_ID | | | NSC_ID | NSC72816 | | PDB_CODE | | | Molecular Weight (g/mol) | 454.43 | | XLogP3-AA | 6.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 8 | | Complexity | 648 | | Topological Polar Surface Area (A^2) | 110 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4395181 | | Predicted Log 10(IC50) values | 4.9172022 | | 2D Structure |  |
Record No:54
|
| DB_ACCESS_NUMBER | PPIM2048 | | CID | 253422 | | CHEMBL_ID | | | NSC_ID | NSC76343 | | PDB_CODE | | | Molecular Weight (g/mol) | 461.54 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 11 | | Complexity | 656 | | Topological Polar Surface Area (A^2) | 107 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4413112 | | Predicted Log 10(IC50) values | 4.9085802 | | 2D Structure |  |
Record No:55
|
| DB_ACCESS_NUMBER | PPIM2049 | | CID | 254013 | | CHEMBL_ID | | | NSC_ID | NSC77618 | | PDB_CODE | | | Molecular Weight (g/mol) | 267.32 | | XLogP3-AA | 0.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 663 | | Topological Polar Surface Area (A^2) | 46.2 | | Heavy Atom Count | 20 | | 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 | Bcl2/Bak | | Clinical Application | Yes (FDA approved clinically passed drug) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.7077268 | | Predicted Log 10(IC50) values | 5.3737638 | | 2D Structure |  |
Record No:56
|
| DB_ACCESS_NUMBER | PPIM2050 | | CID | 254626 | | CHEMBL_ID | | | NSC_ID | NSC79091 | | PDB_CODE | | | Molecular Weight (g/mol) | 298.42 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 626 | | Topological Polar Surface Area (A^2) | 34.1 | | Heavy Atom Count | 22 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5508171 | | Predicted Log 10(IC50) values | 5.4448601 | | 2D Structure |  |
Record No:57
|
| DB_ACCESS_NUMBER | PPIM2051 | | CID | 254664 | | CHEMBL_ID | | | NSC_ID | NSC79182 | | PDB_CODE | | | Molecular Weight (g/mol) | 478.49 | | XLogP3-AA | 3.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 14 | | Complexity | 663 | | Topological Polar Surface Area (A^2) | 124 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.517689 | | Predicted Log 10(IC50) values | 4.9149951 | | 2D Structure |  |
Record No:58
|
| DB_ACCESS_NUMBER | PPIM2052 | | CID | 257421 | | CHEMBL_ID | | | NSC_ID | NSC85414 | | PDB_CODE | | | Molecular Weight (g/mol) | 284.39 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 590 | | Topological Polar Surface Area (A^2) | 34.1 | | Heavy Atom Count | 21 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4703639 | | Predicted Log 10(IC50) values | 5.5641071 | | 2D Structure |  |
Record No:59
|
| DB_ACCESS_NUMBER | PPIM2053 | | CID | 257430 | | CHEMBL_ID | | | NSC_ID | NSC85444 | | PDB_CODE | | | Molecular Weight (g/mol) | 298.42 | | XLogP3-AA | 3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 640 | | Topological Polar Surface Area (A^2) | 37.3 | | Heavy Atom Count | 22 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5271846 | | Predicted Log 10(IC50) values | 5.3982271 | | 2D Structure |  |
Record No:60
|
| DB_ACCESS_NUMBER | PPIM2054 | | CID | 258179 | | CHEMBL_ID | | | NSC_ID | NSC86937 | | PDB_CODE | | | Molecular Weight (g/mol) | 358.44 | | XLogP3-AA | 6.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 801 | | Topological Polar Surface Area (A^2) | 24.7 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4595564 | | Predicted Log 10(IC50) values | 4.6682124 | | 2D Structure |  |
Record No:61
|
| DB_ACCESS_NUMBER | PPIM2055 | | CID | 258190 | | CHEMBL_ID | | | NSC_ID | NSC86949 | | PDB_CODE | | | Molecular Weight (g/mol) | 360.42 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 820 | | Topological Polar Surface Area (A^2) | 50.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6208508 | | Predicted Log 10(IC50) values | 4.6442515 | | 2D Structure |  |
Record No:62
|
| DB_ACCESS_NUMBER | PPIM2056 | | CID | 259039 | | CHEMBL_ID | | | NSC_ID | NSC88535 | | PDB_CODE | | | Molecular Weight (g/mol) | 340.41 | | XLogP3-AA | 1.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 775 | | Topological Polar Surface Area (A^2) | 60.4 | | Heavy Atom Count | 25 | | 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 | Bcl2/Bak | | Clinical Application | Yes (FDA approved clinically passed drug) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5428989 | | Predicted Log 10(IC50) values | 4.8240768 | | 2D Structure |  |
Record No:63
|
| DB_ACCESS_NUMBER | PPIM2057 | | CID | 260116 | | CHEMBL_ID | | | NSC_ID | NSC91000 | | PDB_CODE | | | Molecular Weight (g/mol) | 463.49 | | XLogP3-AA | 5.3 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 10 | | Complexity | 657 | | Topological Polar Surface Area (A^2) | 138 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4151119 | | Predicted Log 10(IC50) values | 4.9275739 | | 2D Structure |  |
Record No:64
|
| DB_ACCESS_NUMBER | PPIM2058 | | CID | 260469 | | CHEMBL_ID | | | NSC_ID | NSC91772 | | PDB_CODE | | | Molecular Weight (g/mol) | 493.56 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 7 | | Complexity | 679 | | Topological Polar Surface Area (A^2) | 108 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5452207 | | Predicted Log 10(IC50) values | 4.835414 | | 2D Structure |  |
Record No:65
|
| DB_ACCESS_NUMBER | PPIM2059 | | CID | 261000 | | CHEMBL_ID | CHEMBL166444 | | NSC_ID | NSC92858 | | PDB_CODE | | | Molecular Weight (g/mol) | 284.39 | | XLogP3-AA | 2.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 609 | | Topological Polar Surface Area (A^2) | 37.3 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 4 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 1.5 | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | Yes (FDA approved clinically passed drug) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | 28463227 | | Protein-Protein Interaction Modulator SVM score | 1.7155107 | | Predicted Log 10(IC50) values | 5.5142067 | | 2D Structure |  |
Record No:66
|
| DB_ACCESS_NUMBER | PPIM2060 | | CID | 261920 | | CHEMBL_ID | | | NSC_ID | NSC95001 | | PDB_CODE | | | Molecular Weight (g/mol) | 463.01 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 13 | | Complexity | 668 | | Topological Polar Surface Area (A^2) | 98 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4048622 | | Predicted Log 10(IC50) values | 4.8716639 | | 2D Structure |  |
Record No:67
|
| DB_ACCESS_NUMBER | PPIM2061 | | CID | 267433 | | CHEMBL_ID | | | NSC_ID | NSC106669 | | PDB_CODE | | | Molecular Weight (g/mol) | 482.53 | | XLogP3-AA | 4.5 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 9 | | Complexity | 680 | | Topological Polar Surface Area (A^2) | 115 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5673601 | | Predicted Log 10(IC50) values | 4.8608026 | | 2D Structure |  |
Record No:68
|
| DB_ACCESS_NUMBER | PPIM2062 | | CID | 267454 | | CHEMBL_ID | | | NSC_ID | NSC106705 | | PDB_CODE | | | Molecular Weight (g/mol) | 473.22 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 6 | | Complexity | 663 | | Topological Polar Surface Area (A^2) | 101 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4365732 | | Predicted Log 10(IC50) values | 4.8808452 | | 2D Structure |  |
Record No:69
|
| DB_ACCESS_NUMBER | PPIM2063 | | CID | 267511 | | CHEMBL_ID | | | NSC_ID | NSC106765 | | PDB_CODE | | | Molecular Weight (g/mol) | 480.89 | | XLogP3-AA | 5.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 10 | | Complexity | 695 | | Topological Polar Surface Area (A^2) | 88.1 | | 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 | Bcl2/Bak | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4795594 | | Predicted Log 10(IC50) values | 4.784163 | | 2D Structure |  |
Record No:70
|
| DB_ACCESS_NUMBER | PPIM2064 | | CID | 268591 | | CHEMBL_ID | | | NSC_ID | NSC108891 | | PDB_CODE | | | Molecular Weight (g/mol) | 464.4 | | XLogP3-AA | -0.2 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 15 | | Complexity | 659 | | Topological Polar Surface Area (A^2) | 123 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4243349 | | Predicted Log 10(IC50) values | 4.9246491 | | 2D Structure |  |
Record No:71
|
| DB_ACCESS_NUMBER | PPIM2065 | | CID | 269831 | | CHEMBL_ID | | | NSC_ID | NSC111345 | | PDB_CODE | | | Molecular Weight (g/mol) | 467.26 | | XLogP3-AA | 5.2 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 4 | | Complexity | 649 | | Topological Polar Surface Area (A^2) | 110 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4743574 | | Predicted Log 10(IC50) values | 4.9057227 | | 2D Structure |  |
Record No:72
|
| DB_ACCESS_NUMBER | PPIM2066 | | CID | 270131 | | CHEMBL_ID | | | NSC_ID | NSC112324 | | PDB_CODE | | | Molecular Weight (g/mol) | 464.58 | | XLogP3-AA | 5.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 8 | | Complexity | 678 | | Topological Polar Surface Area (A^2) | 92.9 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4014248 | | Predicted Log 10(IC50) values | 4.847167 | | 2D Structure |  |
Record No:73
|
| DB_ACCESS_NUMBER | PPIM2067 | | CID | 270223 | | CHEMBL_ID | | | NSC_ID | NSC112444 | | PDB_CODE | | | Molecular Weight (g/mol) | 470.52 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 14 | | Complexity | 650 | | Topological Polar Surface Area (A^2) | 111 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4827081 | | Predicted Log 10(IC50) values | 4.9068184 | | 2D Structure |  |
Record No:74
|
| DB_ACCESS_NUMBER | PPIM2068 | | CID | 270224 | | CHEMBL_ID | | | NSC_ID | NSC112445 | | PDB_CODE | | | Molecular Weight (g/mol) | 470.52 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 14 | | Complexity | 670 | | Topological Polar Surface Area (A^2) | 111 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5607278 | | Predicted Log 10(IC50) values | 4.8866879 | | 2D Structure |  |
Record No:75
|
| DB_ACCESS_NUMBER | PPIM2069 | | CID | 272214 | | CHEMBL_ID | | | NSC_ID | NSC116498 | | PDB_CODE | | | Molecular Weight (g/mol) | 460.48 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 10 | | Complexity | 642 | | Topological Polar Surface Area (A^2) | 111 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4090546 | | Predicted Log 10(IC50) values | 4.9158216 | | 2D Structure |  |
Record No:76
|
| DB_ACCESS_NUMBER | PPIM2070 | | CID | 272908 | | CHEMBL_ID | | | NSC_ID | NSC117634 | | PDB_CODE | | | Molecular Weight (g/mol) | 457.49 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 8 | | Complexity | 668 | | Topological Polar Surface Area (A^2) | 115 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4547913 | | Predicted Log 10(IC50) values | 4.9008609 | | 2D Structure |  |
Record No:77
|
| DB_ACCESS_NUMBER | PPIM2071 | | CID | 273187 | | CHEMBL_ID | | | NSC_ID | NSC118188 | | PDB_CODE | | | Molecular Weight (g/mol) | 296.41 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 649 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4644456 | | Predicted Log 10(IC50) values | 5.3824005 | | 2D Structure |  |
Record No:78
|
| DB_ACCESS_NUMBER | PPIM2072 | | CID | 273244 | | CHEMBL_ID | | | NSC_ID | NSC118335 | | PDB_CODE | | | Molecular Weight (g/mol) | 493.56 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 8 | | Complexity | 657 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4327264 | | Predicted Log 10(IC50) values | 4.8600607 | | 2D Structure |  |
Record No:79
|
| DB_ACCESS_NUMBER | PPIM2073 | | CID | 273356 | | CHEMBL_ID | | | NSC_ID | NSC118520 | | PDB_CODE | | | Molecular Weight (g/mol) | 478.52 | | XLogP3-AA | 6.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 10 | | Complexity | 689 | | Topological Polar Surface Area (A^2) | 92.2 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5504553 | | Predicted Log 10(IC50) values | 4.8012984 | | 2D Structure |  |
Record No:80
|
| DB_ACCESS_NUMBER | PPIM2074 | | CID | 277712 | | CHEMBL_ID | | | NSC_ID | NSC126665 | | PDB_CODE | | | Molecular Weight (g/mol) | 490.45 | | XLogP3-AA | 6.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 9 | | Complexity | 666 | | Topological Polar Surface Area (A^2) | 103 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5382766 | | Predicted Log 10(IC50) values | 4.8521934 | | 2D Structure |  |
Record No:81
|
| DB_ACCESS_NUMBER | PPIM2075 | | CID | 278080 | | CHEMBL_ID | | | NSC_ID | NSC127194 | | PDB_CODE | | | Molecular Weight (g/mol) | 366.42 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 818 | | Topological Polar Surface Area (A^2) | 71.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4837481 | | Predicted Log 10(IC50) values | 4.6751348 | | 2D Structure |  |
Record No:82
|
| DB_ACCESS_NUMBER | PPIM2076 | | CID | 278229 | | CHEMBL_ID | | | NSC_ID | NSC127562 | | PDB_CODE | | | Molecular Weight (g/mol) | 358.45 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 793 | | Topological Polar Surface Area (A^2) | 51.2 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6079214 | | Predicted Log 10(IC50) values | 4.7314237 | | 2D Structure |  |
Record No:83
|
| DB_ACCESS_NUMBER | PPIM2077 | | CID | 278265 | | CHEMBL_ID | | | NSC_ID | NSC127678 | | PDB_CODE | | | Molecular Weight (g/mol) | 490.55 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 11 | | Complexity | 694 | | Topological Polar Surface Area (A^2) | 95.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5372368 | | Predicted Log 10(IC50) values | 4.7806726 | | 2D Structure |  |
Record No:84
|
| DB_ACCESS_NUMBER | PPIM2078 | | CID | 278872 | | CHEMBL_ID | | | NSC_ID | NSC128812 | | PDB_CODE | | | Molecular Weight (g/mol) | 492.34 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 14 | | Rotatable Bond Count | 7 | | Complexity | 672 | | Topological Polar Surface Area (A^2) | 102 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4872457 | | Predicted Log 10(IC50) values | 4.8528172 | | 2D Structure |  |
Record No:85
|
| DB_ACCESS_NUMBER | PPIM2079 | | CID | 279194 | | CHEMBL_ID | | | NSC_ID | NSC129490 | | PDB_CODE | | | Molecular Weight (g/mol) | 467.46 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 11 | | Complexity | 638 | | Topological Polar Surface Area (A^2) | 120 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4333538 | | Predicted Log 10(IC50) values | 4.9259692 | | 2D Structure |  |
Record No:86
|
| DB_ACCESS_NUMBER | PPIM2080 | | CID | 2797269 | | CHEMBL_ID | | | NSC_ID | NSC328081 | | PDB_CODE | | | Molecular Weight (g/mol) | 478.34 | | XLogP3-AA | 4.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 7 | | Complexity | 667 | | Topological Polar Surface Area (A^2) | 117 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5395526 | | Predicted Log 10(IC50) values | 4.8950987 | | 2D Structure |  |
Record No:87
|
| DB_ACCESS_NUMBER | PPIM2081 | | CID | 282279 | | CHEMBL_ID | | | NSC_ID | NSC135659 | | PDB_CODE | | | Molecular Weight (g/mol) | 491.49 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 7 | | Complexity | 675 | | Topological Polar Surface Area (A^2) | 99.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5442611 | | Predicted Log 10(IC50) values | 4.8201895 | | 2D Structure |  |
Record No:88
|
| DB_ACCESS_NUMBER | PPIM2082 | | CID | 283075 | | CHEMBL_ID | | | NSC_ID | NSC137368 | | PDB_CODE | | | Molecular Weight (g/mol) | 251.32 | | XLogP3-AA | 1.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 1 | | Rotatable Bond Count | 0 | | Complexity | 634 | | Topological Polar Surface Area (A^2) | 29.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.7674599 | | Predicted Log 10(IC50) values | 5.5732712 | | 2D Structure |  |
Record No:89
|
| DB_ACCESS_NUMBER | PPIM2083 | | CID | 284515 | | CHEMBL_ID | | | NSC_ID | NSC140352 | | PDB_CODE | | | Molecular Weight (g/mol) | 484.61 | | XLogP3-AA | 6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 6 | | Complexity | 682 | | Topological Polar Surface Area (A^2) | 83 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4337392 | | Predicted Log 10(IC50) values | 4.7761109 | | 2D Structure |  |
Record No:90
|
| DB_ACCESS_NUMBER | PPIM2084 | | CID | 285066 | | CHEMBL_ID | | | NSC_ID | NSC141680 | | PDB_CODE | | | Molecular Weight (g/mol) | 460.54 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 6 | | Complexity | 672 | | Topological Polar Surface Area (A^2) | 113 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4691512 | | Predicted Log 10(IC50) values | 4.8911582 | | 2D Structure |  |
Record No:91
|
| DB_ACCESS_NUMBER | PPIM2085 | | CID | 286290 | | CHEMBL_ID | | | NSC_ID | NSC144226 | | PDB_CODE | | | Molecular Weight (g/mol) | 480.51 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 11 | | Complexity | 652 | | Topological Polar Surface Area (A^2) | 112 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5082075 | | Predicted Log 10(IC50) values | 4.8970439 | | 2D Structure |  |
Record No:92
|
| DB_ACCESS_NUMBER | PPIM2086 | | CID | 286785 | | CHEMBL_ID | | | NSC_ID | NSC145951 | | PDB_CODE | | | Molecular Weight (g/mol) | 290.27 | | XLogP3-AA | 1.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 636 | | Topological Polar Surface Area (A^2) | 59.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5052423 | | Predicted Log 10(IC50) values | 5.3378326 | | 2D Structure |  |
Record No:93
|
| DB_ACCESS_NUMBER | PPIM2087 | | CID | 289323 | | CHEMBL_ID | | | NSC_ID | NSC151036 | | PDB_CODE | | | Molecular Weight (g/mol) | 471.55 | | XLogP3-AA | 6.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 12 | | Complexity | 686 | | Topological Polar Surface Area (A^2) | 108 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5449318 | | Predicted Log 10(IC50) values | 4.8609272 | | 2D Structure |  |
Record No:94
|
| DB_ACCESS_NUMBER | PPIM2088 | | CID | 289382 | | CHEMBL_ID | | | NSC_ID | NSC151119 | | PDB_CODE | | | Molecular Weight (g/mol) | 490.6 | | XLogP3-AA | 7.6 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 10 | | Complexity | 689 | | Topological Polar Surface Area (A^2) | 93.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.58063 | | Predicted Log 10(IC50) values | 4.7840279 | | 2D Structure |  |
Record No:95
|
| DB_ACCESS_NUMBER | PPIM2089 | | CID | 290345 | | CHEMBL_ID | | | NSC_ID | NSC153610 | | PDB_CODE | | | Molecular Weight (g/mol) | 267.28 | | XLogP3-AA | 1.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 669 | | Topological Polar Surface Area (A^2) | 46.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6364308 | | Predicted Log 10(IC50) values | 5.3500556 | | 2D Structure |  |
Record No:96
|
| DB_ACCESS_NUMBER | PPIM2090 | | CID | 290663 | | CHEMBL_ID | | | NSC_ID | NSC154770 | | PDB_CODE | | | Molecular Weight (g/mol) | 468.57 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 10 | | Complexity | 674 | | Topological Polar Surface Area (A^2) | 113 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5046047 | | Predicted Log 10(IC50) values | 4.8905423 | | 2D Structure |  |
Record No:97
|
| DB_ACCESS_NUMBER | PPIM2091 | | CID | 291145 | | CHEMBL_ID | | | NSC_ID | NSC155946 | | PDB_CODE | | | Molecular Weight (g/mol) | 448.54 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 8 | | Complexity | 650 | | Topological Polar Surface Area (A^2) | 131 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4007545 | | Predicted Log 10(IC50) values | 4.9306451 | | 2D Structure |  |
Record No:98
|
| DB_ACCESS_NUMBER | PPIM2092 | | CID | 291162 | | CHEMBL_ID | | | NSC_ID | NSC156092 | | PDB_CODE | | | Molecular Weight (g/mol) | 505.56 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 15 | | Complexity | 684 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4638477 | | Predicted Log 10(IC50) values | 4.7897247 | | 2D Structure |  |
Record No:99
|
| DB_ACCESS_NUMBER | PPIM2093 | | CID | 291333 | | CHEMBL_ID | | | NSC_ID | NSC156520 | | PDB_CODE | | | Molecular Weight (g/mol) | 484.58 | | XLogP3-AA | 6.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 6 | | Complexity | 657 | | Topological Polar Surface Area (A^2) | 103 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5014573 | | Predicted Log 10(IC50) values | 4.8707463 | | 2D Structure |  |
Record No:100
|
| DB_ACCESS_NUMBER | PPIM2094 | | CID | 291384 | | CHEMBL_ID | | | NSC_ID | NSC156586 | | PDB_CODE | | | Molecular Weight (g/mol) | 478.58 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 23 | | Complexity | 680 | | Topological Polar Surface Area (A^2) | 105 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5988841 | | Predicted Log 10(IC50) values | 4.8589614 | | 2D Structure |  |
Record No:101
|
| DB_ACCESS_NUMBER | PPIM2095 | | CID | 292370 | | CHEMBL_ID | | | NSC_ID | NSC158090 | | PDB_CODE | | | Molecular Weight (g/mol) | 499.69 | | XLogP3-AA | 8.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 19 | | Complexity | 701 | | Topological Polar Surface Area (A^2) | 79 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4536001 | | Predicted Log 10(IC50) values | 4.6959318 | | 2D Structure |  |
Record No:102
|
| DB_ACCESS_NUMBER | PPIM2096 | | CID | 293627 | | CHEMBL_ID | | | NSC_ID | NSC160473 | | PDB_CODE | | | Molecular Weight (g/mol) | 488.54 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 13 | | Complexity | 709 | | Topological Polar Surface Area (A^2) | 102 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.454486 | | Predicted Log 10(IC50) values | 4.7789395 | | 2D Structure |  |
Record No:103
|
| DB_ACCESS_NUMBER | PPIM2097 | | CID | 294929 | | CHEMBL_ID | | | NSC_ID | NSC164079 | | PDB_CODE | | | Molecular Weight (g/mol) | 476.52 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 12 | | Complexity | 667 | | Topological Polar Surface Area (A^2) | 114 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5786599 | | Predicted Log 10(IC50) values | 4.8837125 | | 2D Structure |  |
Record No:104
|
| DB_ACCESS_NUMBER | PPIM2098 | | CID | 294939 | | CHEMBL_ID | | | NSC_ID | NSC164089 | | PDB_CODE | | | Molecular Weight (g/mol) | 490.55 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 13 | | Complexity | 682 | | Topological Polar Surface Area (A^2) | 114 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5465542 | | Predicted Log 10(IC50) values | 4.8496266 | | 2D Structure |  |
Record No:105
|
| DB_ACCESS_NUMBER | PPIM2099 | | CID | 295833 | | CHEMBL_ID | | | NSC_ID | NSC165445 | | PDB_CODE | | | Molecular Weight (g/mol) | 782.6 | | XLogP3-AA | 7.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 16 | | Complexity | 1390 | | Topological Polar Surface Area (A^2) | 159 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4179636 | | Predicted Log 10(IC50) values | 3.2996389 | | 2D Structure |  |
Record No:106
|
| DB_ACCESS_NUMBER | PPIM2100 | | CID | 296891 | | CHEMBL_ID | | | NSC_ID | NSC167442 | | PDB_CODE | | | Molecular Weight (g/mol) | 290.33 | | XLogP3-AA | 3.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 598 | | Topological Polar Surface Area (A^2) | 44.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4289236 | | Predicted Log 10(IC50) values | 5.4784806 | | 2D Structure |  |
Record No:107
|
| DB_ACCESS_NUMBER | PPIM2101 | | CID | 297105 | | CHEMBL_ID | | | NSC_ID | NSC167850 | | PDB_CODE | | | Molecular Weight (g/mol) | 478.13 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 4 | | Complexity | 662 | | Topological Polar Surface Area (A^2) | 126 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4222847 | | Predicted Log 10(IC50) values | 4.912723 | | 2D Structure |  |
Record No:108
|
| DB_ACCESS_NUMBER | PPIM2102 | | CID | 297815 | | CHEMBL_ID | | | NSC_ID | NSC169112 | | PDB_CODE | | | Molecular Weight (g/mol) | 469.53 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 14 | | Complexity | 657 | | Topological Polar Surface Area (A^2) | 123 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5275276 | | Predicted Log 10(IC50) values | 4.9116053 | | 2D Structure |  |
Record No:109
|
| DB_ACCESS_NUMBER | PPIM2103 | | CID | 297833 | | CHEMBL_ID | | | NSC_ID | NSC169129 | | PDB_CODE | | | Molecular Weight (g/mol) | 455.51 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 13 | | Complexity | 642 | | Topological Polar Surface Area (A^2) | 123 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4366548 | | Predicted Log 10(IC50) values | 4.925353 | | 2D Structure |  |
Record No:110
|
| DB_ACCESS_NUMBER | PPIM2104 | | CID | 298316 | | CHEMBL_ID | CHEMBL1454160 | | NSC_ID | NSC400281 | | PDB_CODE | | | Molecular Weight (g/mol) | 476.48 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 11 | | Complexity | 706 | | Topological Polar Surface Area (A^2) | 97.4 | | 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 | Bcl2/Bak | | Clinical Application | Yes (FDA approved clinically passed drug) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.410438 | | Predicted Log 10(IC50) values | 4.7981911 | | 2D Structure |  |
Record No:111
|
| DB_ACCESS_NUMBER | PPIM2105 | | CID | 299281 | | CHEMBL_ID | | | NSC_ID | NSC171752 | | PDB_CODE | | | Molecular Weight (g/mol) | 268.26 | | XLogP3-AA | 1.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 4 | | Complexity | 649 | | Topological Polar Surface Area (A^2) | 52.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.7502513 | | Predicted Log 10(IC50) values | 5.3888242 | | 2D Structure |  |
Record No:112
|
| DB_ACCESS_NUMBER | PPIM2106 | | CID | 299850 | | CHEMBL_ID | | | NSC_ID | NSC173316 | | PDB_CODE | | | Molecular Weight (g/mol) | 475.54 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 9 | | Complexity | 666 | | Topological Polar Surface Area (A^2) | 87.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4094555 | | Predicted Log 10(IC50) values | 4.8417374 | | 2D Structure |  |
Record No:113
|
| DB_ACCESS_NUMBER | PPIM2107 | | CID | 299927 | | CHEMBL_ID | | | NSC_ID | NSC173906 | | PDB_CODE | | | Molecular Weight (g/mol) | 502.00 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 14 | | Complexity | 691 | | Topological Polar Surface Area (A^2) | 114 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4302287 | | Predicted Log 10(IC50) values | 4.8204564 | | 2D Structure |  |
Record No:114
|
| DB_ACCESS_NUMBER | PPIM2108 | | CID | 3001721 | | CHEMBL_ID | | | NSC_ID | NSC667707 | | PDB_CODE | | | Molecular Weight (g/mol) | 499.03 | | XLogP3-AA | 6.6 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 6 | | Complexity | 675 | | Topological Polar Surface Area (A^2) | 98.9 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4651092 | | Predicted Log 10(IC50) values | 4.8050669 | | 2D Structure |  |
Record No:115
|
| DB_ACCESS_NUMBER | PPIM2109 | | CID | 3004804 | | CHEMBL_ID | | | NSC_ID | NSC659820 | | PDB_CODE | | | Molecular Weight (g/mol) | 474.57 | | XLogP3-AA | 5.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 10 | | Complexity | 681 | | Topological Polar Surface Area (A^2) | 109 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5691541 | | Predicted Log 10(IC50) values | 4.8592152 | | 2D Structure |  |
Record No:116
|
| DB_ACCESS_NUMBER | PPIM2110 | | CID | 302409 | | CHEMBL_ID | | | NSC_ID | NSC186773 | | PDB_CODE | | | Molecular Weight (g/mol) | 466.61 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 7 | | Complexity | 659 | | Topological Polar Surface Area (A^2) | 111 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4929743 | | Predicted Log 10(IC50) values | 4.8966433 | | 2D Structure |  |
Record No:117
|
| DB_ACCESS_NUMBER | PPIM2111 | | CID | 302560 | | CHEMBL_ID | | | NSC_ID | NSC187778 | | PDB_CODE | | | Molecular Weight (g/mol) | 480.64 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 8 | | Complexity | 674 | | Topological Polar Surface Area (A^2) | 111 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5466825 | | Predicted Log 10(IC50) values | 4.8656603 | | 2D Structure |  |
Record No:118
|
| DB_ACCESS_NUMBER | PPIM2112 | | CID | 303943 | | CHEMBL_ID | | | NSC_ID | NSC194599 | | PDB_CODE | | | Molecular Weight (g/mol) | 265.31 | | XLogP3-AA | 1.6 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 689 | | Topological Polar Surface Area (A^2) | 48.2 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4475797 | | Predicted Log 10(IC50) values | 5.2718135 | | 2D Structure |  |
Record No:119
|
| DB_ACCESS_NUMBER | PPIM2113 | | CID | 304875 | | CHEMBL_ID | | | NSC_ID | NSC201595 | | PDB_CODE | | | Molecular Weight (g/mol) | 460.56 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 7 | | Complexity | 663 | | Topological Polar Surface Area (A^2) | 130 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4235396 | | Predicted Log 10(IC50) values | 4.9249906 | | 2D Structure |  |
Record No:120
|
| DB_ACCESS_NUMBER | PPIM2114 | | CID | 309624 | | CHEMBL_ID | | | NSC_ID | NSC211934 | | PDB_CODE | | | Molecular Weight (g/mol) | 484.39 | | XLogP3-AA | 3 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 10 | | Complexity | 680 | | Topological Polar Surface Area (A^2) | 109 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5075218 | | Predicted Log 10(IC50) values | 4.8460548 | | 2D Structure |  |
Record No:121
|
| DB_ACCESS_NUMBER | PPIM2115 | | CID | 309944 | | CHEMBL_ID | | | NSC_ID | NSC212405 | | PDB_CODE | | | Molecular Weight (g/mol) | 457.89 | | XLogP3-AA | 5.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 7 | | Complexity | 653 | | Topological Polar Surface Area (A^2) | 107 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4071362 | | Predicted Log 10(IC50) values | 4.9148305 | | 2D Structure |  |
Record No:122
|
| DB_ACCESS_NUMBER | PPIM2116 | | CID | 313877 | | CHEMBL_ID | | | NSC_ID | NSC229591 | | PDB_CODE | | | Molecular Weight (g/mol) | 460.5 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 6 | | Complexity | 672 | | Topological Polar Surface Area (A^2) | 126 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4034759 | | Predicted Log 10(IC50) values | 4.9066425 | | 2D Structure |  |
Record No:123
|
| DB_ACCESS_NUMBER | PPIM2117 | | CID | 314402 | | CHEMBL_ID | | | NSC_ID | NSC231829 | | PDB_CODE | | | Molecular Weight (g/mol) | 452.45 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 13 | | Complexity | 657 | | Topological Polar Surface Area (A^2) | 124 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4088294 | | Predicted Log 10(IC50) values | 4.9300466 | | 2D Structure |  |
Record No:124
|
| DB_ACCESS_NUMBER | PPIM2118 | | CID | 314417 | | CHEMBL_ID | | | NSC_ID | NSC231867 | | PDB_CODE | | | Molecular Weight (g/mol) | 462.45 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 13 | | Complexity | 674 | | Topological Polar Surface Area (A^2) | 116 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4827486 | | Predicted Log 10(IC50) values | 4.8973259 | | 2D Structure |  |
Record No:125
|
| DB_ACCESS_NUMBER | PPIM2119 | | CID | 314520 | | CHEMBL_ID | CHEMBL138868 | | NSC_ID | NSC232667 | | PDB_CODE | | | Molecular Weight (g/mol) | 464.47 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 13 | | Complexity | 647 | | Topological Polar Surface Area (A^2) | 119 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5016476 | | Predicted Log 10(IC50) values | 4.9216409 | | 2D Structure |  |
Record No:126
|
| DB_ACCESS_NUMBER | PPIM2120 | | CID | 315033 | | CHEMBL_ID | | | NSC_ID | NSC237068 | | PDB_CODE | | | Molecular Weight (g/mol) | 262.31 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 633 | | Topological Polar Surface Area (A^2) | 35.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.8718066 | | Predicted Log 10(IC50) values | 5.522921 | | 2D Structure |  |
Record No:127
|
| DB_ACCESS_NUMBER | PPIM2121 | | CID | 316872 | | CHEMBL_ID | | | NSC_ID | NSC245447 | | PDB_CODE | | | Molecular Weight (g/mol) | 502.7 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 9 | | Complexity | 697 | | Topological Polar Surface Area (A^2) | 105 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4382119 | | Predicted Log 10(IC50) values | 4.775807 | | 2D Structure |  |
Record No:128
|
| DB_ACCESS_NUMBER | PPIM2122 | | CID | 317277 | | CHEMBL_ID | | | NSC_ID | NSC248523 | | PDB_CODE | | | Molecular Weight (g/mol) | 366.50 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 787 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.496152 | | Predicted Log 10(IC50) values | 4.7249629 | | 2D Structure |  |
Record No:129
|
| DB_ACCESS_NUMBER | PPIM2123 | | CID | 317279 | | CHEMBL_ID | | | NSC_ID | NSC248526 | | PDB_CODE | | | Molecular Weight (g/mol) | 382.5 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 827 | | Topological Polar Surface Area (A^2) | 55.9 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4460729 | | Predicted Log 10(IC50) values | 4.6087514 | | 2D Structure |  |
Record No:130
|
| DB_ACCESS_NUMBER | PPIM2124 | | CID | 320590 | | CHEMBL_ID | | | NSC_ID | NSC268702 | | PDB_CODE | | | Molecular Weight (g/mol) | 468.94 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 14 | | Complexity | 643 | | Topological Polar Surface Area (A^2) | 119 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4303601 | | Predicted Log 10(IC50) values | 4.9241381 | | 2D Structure |  |
Record No:131
|
| DB_ACCESS_NUMBER | PPIM2125 | | CID | 323905 | | CHEMBL_ID | | | NSC_ID | NSC287079 | | PDB_CODE | | | Molecular Weight (g/mol) | 463.48 | | XLogP3-AA | 6.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 12 | | Complexity | 640 | | Topological Polar Surface Area (A^2) | 108 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.409675 | | Predicted Log 10(IC50) values | 4.9181632 | | 2D Structure |  |
Record No:132
|
| DB_ACCESS_NUMBER | PPIM2126 | | CID | 324826 | | CHEMBL_ID | | | NSC_ID | NSC291569 | | PDB_CODE | | | Molecular Weight (g/mol) | 466.33 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 5 | | Complexity | 674 | | Topological Polar Surface Area (A^2) | 122 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4192845 | | Predicted Log 10(IC50) values | 4.8981307 | | 2D Structure |  |
Record No:133
|
| DB_ACCESS_NUMBER | PPIM2127 | | CID | 325066 | | CHEMBL_ID | | | NSC_ID | NSC292656 | | PDB_CODE | | | Molecular Weight (g/mol) | 288.34 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 623 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6058481 | | Predicted Log 10(IC50) values | 5.4047964 | | 2D Structure |  |
Record No:134
|
| DB_ACCESS_NUMBER | PPIM2128 | | CID | 328189 | | CHEMBL_ID | | | NSC_ID | NSC305932 | | PDB_CODE | | | Molecular Weight (g/mol) | 464.55 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 4 | | Complexity | 644 | | Topological Polar Surface Area (A^2) | 132 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4577236 | | Predicted Log 10(IC50) values | 4.9271508 | | 2D Structure |  |
Record No:135
|
| DB_ACCESS_NUMBER | PPIM2129 | | CID | 328374 | | CHEMBL_ID | | | NSC_ID | NSC306746 | | PDB_CODE | | | Molecular Weight (g/mol) | 352.16 | | XLogP3-AA | 2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 2 | | Complexity | 802 | | Topological Polar Surface Area (A^2) | 71.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5674802 | | Predicted Log 10(IC50) values | 4.7327072 | | 2D Structure |  |
Record No:136
|
| DB_ACCESS_NUMBER | PPIM2130 | | CID | 328637 | | CHEMBL_ID | | | NSC_ID | NSC307719 | | PDB_CODE | | | Molecular Weight (g/mol) | 494.70 | | XLogP3-AA | 7.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 14 | | Complexity | 705 | | Topological Polar Surface Area (A^2) | 94.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4915715 | | Predicted Log 10(IC50) values | 4.7561781 | | 2D Structure |  |
Record No:137
|
| DB_ACCESS_NUMBER | PPIM2131 | | CID | 329157 | | CHEMBL_ID | | | NSC_ID | NSC310288 | | PDB_CODE | | | Molecular Weight (g/mol) | 464.58 | | XLogP3-AA | 6.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 6 | | Complexity | 669 | | Topological Polar Surface Area (A^2) | 103 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5067241 | | Predicted Log 10(IC50) values | 4.8820957 | | 2D Structure |  |
Record No:138
|
| DB_ACCESS_NUMBER | PPIM2132 | | CID | 330544 | | CHEMBL_ID | | | NSC_ID | NSC319487 | | PDB_CODE | | | Molecular Weight (g/mol) | 326.39 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 778 | | Topological Polar Surface Area (A^2) | 60.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.638097 | | Predicted Log 10(IC50) values | 4.824797 | | 2D Structure |  |
Record No:139
|
| DB_ACCESS_NUMBER | PPIM2133 | | CID | 330570 | | CHEMBL_ID | | | NSC_ID | NSC319632 | | PDB_CODE | | | Molecular Weight (g/mol) | 366.50 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 802 | | Topological Polar Surface Area (A^2) | 46.5 | | Heavy Atom Count | 27 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5746045 | | Predicted Log 10(IC50) values | 4.6876657 | | 2D Structure |  |
Record No:140
|
| DB_ACCESS_NUMBER | PPIM2134 | | CID | 330976 | | CHEMBL_ID | | | NSC_ID | NSC320956 | | PDB_CODE | | | Molecular Weight (g/mol) | 368.34 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 793 | | Topological Polar Surface Area (A^2) | 61.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4776813 | | Predicted Log 10(IC50) values | 4.7278246 | | 2D Structure |  |
Record No:141
|
| DB_ACCESS_NUMBER | PPIM2135 | | CID | 330977 | | CHEMBL_ID | | | NSC_ID | NSC320957 | | PDB_CODE | | | Molecular Weight (g/mol) | 381.38 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 827 | | Topological Polar Surface Area (A^2) | 55.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4591592 | | Predicted Log 10(IC50) values | 4.6083743 | | 2D Structure |  |
Record No:142
|
| DB_ACCESS_NUMBER | PPIM2136 | | CID | 331523 | | CHEMBL_ID | | | NSC_ID | NSC324371 | | PDB_CODE | | | Molecular Weight (g/mol) | 464.27 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 12 | | Rotatable Bond Count | 4 | | Complexity | 677 | | Topological Polar Surface Area (A^2) | 110 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4597117 | | Predicted Log 10(IC50) values | 4.8926675 | | 2D Structure |  |
Record No:143
|
| DB_ACCESS_NUMBER | PPIM2137 | | CID | 331739 | | CHEMBL_ID | | | NSC_ID | NSC326247 | | PDB_CODE | | | Molecular Weight (g/mol) | 498.40 | | XLogP3-AA | 3.6 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 9 | | Complexity | 683 | | Topological Polar Surface Area (A^2) | 102 | | Heavy Atom Count | 33 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4479025 | | Predicted Log 10(IC50) values | 4.8075203 | | 2D Structure |  |
Record No:144
|
| DB_ACCESS_NUMBER | PPIM2138 | | CID | 332926 | | CHEMBL_ID | | | NSC_ID | NSC332458 | | PDB_CODE | | | Molecular Weight (g/mol) | 467.96 | | XLogP3-AA | 5.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 7 | | Complexity | 668 | | Topological Polar Surface Area (A^2) | 110 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.543789 | | Predicted Log 10(IC50) values | 4.8886031 | | 2D Structure |  |
Record No:145
|
| DB_ACCESS_NUMBER | PPIM2139 | | CID | 332927 | | CHEMBL_ID | | | NSC_ID | NSC332459 | | PDB_CODE | | | Molecular Weight (g/mol) | 475.91 | | XLogP3-AA | 6.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 5 | | Complexity | 694 | | Topological Polar Surface Area (A^2) | 91.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4221724 | | Predicted Log 10(IC50) values | 4.8029499 | | 2D Structure |  |
Record No:146
|
| DB_ACCESS_NUMBER | PPIM2140 | | CID | 333234 | | CHEMBL_ID | | | NSC_ID | NSC333467 | | PDB_CODE | | | Molecular Weight (g/mol) | 451.52 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 12 | | Complexity | 652 | | Topological Polar Surface Area (A^2) | 121 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4292985 | | Predicted Log 10(IC50) values | 4.917306 | | 2D Structure |  |
Record No:147
|
| DB_ACCESS_NUMBER | PPIM2141 | | CID | 333310 | | CHEMBL_ID | | | NSC_ID | NSC333728 | | PDB_CODE | | | Molecular Weight (g/mol) | 462.50 | | XLogP3-AA | 3.1 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 11 | | Complexity | 652 | | Topological Polar Surface Area (A^2) | 125 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4982954 | | Predicted Log 10(IC50) values | 4.9168459 | | 2D Structure |  |
Record No:148
|
| DB_ACCESS_NUMBER | PPIM2142 | | CID | 333357 | | CHEMBL_ID | CHEMBL3325986 | | NSC_ID | NSC334026 | | PDB_CODE | | | Molecular Weight (g/mol) | 462.50 | | XLogP3-AA | 3.1 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 11 | | Complexity | 652 | | Topological Polar Surface Area (A^2) | 125 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4982954 | | Predicted Log 10(IC50) values | 4.9168459 | | 2D Structure |  |
Record No:149
|
| DB_ACCESS_NUMBER | PPIM2143 | | CID | 334106 | | CHEMBL_ID | | | NSC_ID | NSC338466 | | PDB_CODE | | | Molecular Weight (g/mol) | 284.31 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 621 | | Topological Polar Surface Area (A^2) | 44.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.7214977 | | Predicted Log 10(IC50) values | 5.4545823 | | 2D Structure |  |
Record No:150
|
| DB_ACCESS_NUMBER | PPIM2144 | | CID | 334701 | | CHEMBL_ID | | | NSC_ID | NSC340570 | | PDB_CODE | | | Molecular Weight (g/mol) | 481.63 | | XLogP3-AA | 5.4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 18 | | Complexity | 666 | | Topological Polar Surface Area (A^2) | 113 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5921107 | | Predicted Log 10(IC50) values | 4.8853915 | | 2D Structure |  |
Record No:151
|
| DB_ACCESS_NUMBER | PPIM2145 | | CID | 334736 | | CHEMBL_ID | | | NSC_ID | NSC341193 | | PDB_CODE | | | Molecular Weight (g/mol) | 486.52 | | XLogP3-AA | 5.6 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 5 | | Complexity | 680 | | Topological Polar Surface Area (A^2) | 82.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4114827 | | Predicted Log 10(IC50) values | 4.7700224 | | 2D Structure |  |
Record No:152
|
| DB_ACCESS_NUMBER | PPIM2146 | | CID | 334924 | | CHEMBL_ID | | | NSC_ID | NSC342209 | | PDB_CODE | | | Molecular Weight (g/mol) | 468.55 | | XLogP3-AA | 4.5 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 12 | | Complexity | 684 | | Topological Polar Surface Area (A^2) | 114 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4763073 | | Predicted Log 10(IC50) values | 4.8715466 | | 2D Structure |  |
Record No:153
|
| DB_ACCESS_NUMBER | PPIM2147 | | CID | 334955 | | CHEMBL_ID | | | NSC_ID | NSC342609 | | PDB_CODE | | | Molecular Weight (g/mol) | 285.30 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 608 | | Topological Polar Surface Area (A^2) | 37.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6359604 | | Predicted Log 10(IC50) values | 5.5057527 | | 2D Structure |  |
Record No:154
|
| DB_ACCESS_NUMBER | PPIM2148 | | CID | 335263 | | CHEMBL_ID | | | NSC_ID | NSC343729 | | PDB_CODE | | | Molecular Weight (g/mol) | 488.58 | | XLogP3-AA | 4.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 13 | | Complexity | 679 | | Topological Polar Surface Area (A^2) | 93.7 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5557805 | | Predicted Log 10(IC50) values | 4.8058208 | | 2D Structure |  |
Record No:155
|
| DB_ACCESS_NUMBER | PPIM2149 | | CID | 335428 | | CHEMBL_ID | | | NSC_ID | NSC344675 | | PDB_CODE | | | Molecular Weight (g/mol) | 268.26 | | XLogP3-AA | 0.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 627 | | Topological Polar Surface Area (A^2) | 68.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5696945 | | Predicted Log 10(IC50) values | 5.3716717 | | 2D Structure |  |
Record No:156
|
| DB_ACCESS_NUMBER | PPIM2150 | | CID | 335659 | | CHEMBL_ID | | | NSC_ID | NSC346233 | | PDB_CODE | | | Molecular Weight (g/mol) | 356.46 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 800 | | Topological Polar Surface Area (A^2) | 52.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6584711 | | Predicted Log 10(IC50) values | 4.7139211 | | 2D Structure |  |
Record No:157
|
| DB_ACCESS_NUMBER | PPIM2151 | | CID | 335660 | | CHEMBL_ID | | | NSC_ID | NSC346234 | | PDB_CODE | | | Molecular Weight (g/mol) | 360.40 | | XLogP3-AA | 0.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 0 | | Complexity | 804 | | Topological Polar Surface Area (A^2) | 71.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5008816 | | Predicted Log 10(IC50) values | 4.7194468 | | 2D Structure |  |
Record No:158
|
| DB_ACCESS_NUMBER | PPIM2152 | | CID | 336168 | | CHEMBL_ID | | | NSC_ID | NSC349246 | | PDB_CODE | | | Molecular Weight (g/mol) | 283.32 | | XLogP3-AA | 1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 666 | | Topological Polar Surface Area (A^2) | 63.2 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4467899 | | Predicted Log 10(IC50) values | 5.2556488 | | 2D Structure |  |
Record No:159
|
| DB_ACCESS_NUMBER | PPIM2153 | | CID | 337314 | | CHEMBL_ID | | | NSC_ID | NSC354850 | | PDB_CODE | | | Molecular Weight (g/mol) | 460.48 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 10 | | Complexity | 666 | | Topological Polar Surface Area (A^2) | 111 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4946133 | | Predicted Log 10(IC50) values | 4.895396 | | 2D Structure |  |
Record No:160
|
| DB_ACCESS_NUMBER | PPIM2154 | | CID | 337370 | | CHEMBL_ID | | | NSC_ID | NSC355141 | | PDB_CODE | | | Molecular Weight (g/mol) | 287.32 | | XLogP3-AA | 0.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 1 | | Complexity | 644 | | Topological Polar Surface Area (A^2) | 59.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5369005 | | Predicted Log 10(IC50) values | 5.3272063 | | 2D Structure |  |
Record No:161
|
| DB_ACCESS_NUMBER | PPIM2155 | | CID | 337371 | | CHEMBL_ID | | | NSC_ID | NSC355142 | | PDB_CODE | | | Molecular Weight (g/mol) | 258.23 | | XLogP3-AA | -0.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 641 | | Topological Polar Surface Area (A^2) | 73.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4755221 | | Predicted Log 10(IC50) values | 5.3290714 | | 2D Structure |  |
Record No:162
|
| DB_ACCESS_NUMBER | PPIM2156 | | CID | 337433 | | CHEMBL_ID | | | NSC_ID | NSC355366 | | PDB_CODE | | | Molecular Weight (g/mol) | 492.66 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 6 | | Complexity | 678 | | Topological Polar Surface Area (A^2) | 104 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4969334 | | Predicted Log 10(IC50) values | 4.839041 | | 2D Structure |  |
Record No:163
|
| DB_ACCESS_NUMBER | PPIM2157 | | CID | 337520 | | CHEMBL_ID | | | NSC_ID | NSC355934 | | PDB_CODE | | | Molecular Weight (g/mol) | 478.51 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 8 | | Complexity | 686 | | Topological Polar Surface Area (A^2) | 127 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4039261 | | Predicted Log 10(IC50) values | 4.8876763 | | 2D Structure |  |
Record No:164
|
| DB_ACCESS_NUMBER | PPIM2158 | | CID | 337782 | | CHEMBL_ID | | | NSC_ID | NSC356836 | | PDB_CODE | | | Molecular Weight (g/mol) | 469.53 | | XLogP3-AA | 3.1 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 14 | | Complexity | 657 | | Topological Polar Surface Area (A^2) | 123 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5244458 | | Predicted Log 10(IC50) values | 4.9115262 | | 2D Structure |  |
Record No:165
|
| DB_ACCESS_NUMBER | PPIM2159 | | CID | 338219 | | CHEMBL_ID | | | NSC_ID | NSC359684 | | PDB_CODE | | | Molecular Weight (g/mol) | 490.45 | | XLogP3-AA | 6.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 9 | | Complexity | 674 | | Topological Polar Surface Area (A^2) | 103 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5752176 | | Predicted Log 10(IC50) values | 4.8403224 | | 2D Structure |  |
Record No:166
|
| DB_ACCESS_NUMBER | PPIM2160 | | CID | 339662 | | CHEMBL_ID | | | NSC_ID | NSC367266 | | PDB_CODE | | | Molecular Weight (g/mol) | 289.33 | | XLogP3-AA | 3.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 638 | | Topological Polar Surface Area (A^2) | 37.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.666954 | | Predicted Log 10(IC50) values | 5.4247833 | | 2D Structure |  |
Record No:167
|
| DB_ACCESS_NUMBER | PPIM2161 | | CID | 339663 | | CHEMBL_ID | | | NSC_ID | NSC367268 | | PDB_CODE | | | Molecular Weight (g/mol) | 386.49 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 810 | | Topological Polar Surface Area (A^2) | 40.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4560467 | | Predicted Log 10(IC50) values | 4.6117256 | | 2D Structure |  |
Record No:168
|
| DB_ACCESS_NUMBER | PPIM2162 | | CID | 339938 | | CHEMBL_ID | | | NSC_ID | NSC368399 | | PDB_CODE | | | Molecular Weight (g/mol) | 475.60 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 10 | | Complexity | 668 | | Topological Polar Surface Area (A^2) | 96 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5083253 | | Predicted Log 10(IC50) values | 4.8529906 | | 2D Structure |  |
Record No:169
|
| DB_ACCESS_NUMBER | PPIM2163 | | CID | 340847 | | CHEMBL_ID | | | NSC_ID | NSC372036 | | PDB_CODE | | | Molecular Weight (g/mol) | 452.51 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 3 | | Complexity | 655 | | Topological Polar Surface Area (A^2) | 122 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4377514 | | Predicted Log 10(IC50) values | 4.9182395 | | 2D Structure |  |
Record No:170
|
| DB_ACCESS_NUMBER | PPIM2164 | | CID | 341155 | | CHEMBL_ID | | | NSC_ID | NSC372768 | | PDB_CODE | | | Molecular Weight (g/mol) | 493.78 | | XLogP3-AA | 6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 4 | | Complexity | 694 | | Topological Polar Surface Area (A^2) | 101 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4229685 | | Predicted Log 10(IC50) values | 4.7990697 | | 2D Structure |  |
Record No:171
|
| DB_ACCESS_NUMBER | PPIM2165 | | CID | 343166 | | CHEMBL_ID | | | NSC_ID | NSC382182 | | PDB_CODE | | | Molecular Weight (g/mol) | 380.48 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 4 | | Complexity | 801 | | Topological Polar Surface Area (A^2) | 52.6 | | Heavy Atom Count | 28 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4476241 | | Predicted Log 10(IC50) values | 4.6792569 | | 2D Structure |  |
Record No:172
|
| DB_ACCESS_NUMBER | PPIM2166 | | CID | 343206 | | CHEMBL_ID | | | NSC_ID | NSC382313 | | PDB_CODE | | | Molecular Weight (g/mol) | 483.60 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 14 | | Complexity | 670 | | Topological Polar Surface Area (A^2) | 107 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6003756 | | Predicted Log 10(IC50) values | 4.8620912 | | 2D Structure |  |
Record No:173
|
| DB_ACCESS_NUMBER | PPIM2167 | | CID | 343207 | | CHEMBL_ID | | | NSC_ID | NSC382314 | | PDB_CODE | | | Molecular Weight (g/mol) | 483.60 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 14 | | Complexity | 670 | | Topological Polar Surface Area (A^2) | 107 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6003756 | | Predicted Log 10(IC50) values | 4.8620912 | | 2D Structure |  |
Record No:174
|
| DB_ACCESS_NUMBER | PPIM2168 | | CID | 343445 | | CHEMBL_ID | | | NSC_ID | NSC382314 | | PDB_CODE | | | Molecular Weight (g/mol) | 471.29 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 5 | | Complexity | 672 | | Topological Polar Surface Area (A^2) | 111 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5379785 | | Predicted Log 10(IC50) values | 4.8802478 | | 2D Structure |  |
Record No:175
|
| DB_ACCESS_NUMBER | PPIM2169 | | CID | 343562 | | CHEMBL_ID | | | NSC_ID | NSC383343 | | PDB_CODE | | | Molecular Weight (g/mol) | 461.57 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 10 | | Complexity | 668 | | Topological Polar Surface Area (A^2) | 118 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4597065 | | Predicted Log 10(IC50) values | 4.9024975 | | 2D Structure |  |
Record No:176
|
| DB_ACCESS_NUMBER | PPIM2170 | | CID | 344218 | | CHEMBL_ID | | | NSC_ID | NSC401005 | | PDB_CODE | | | Molecular Weight (g/mol) | 354.40 | | XLogP3-AA | 1.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 807 | | Topological Polar Surface Area (A^2) | 69.7 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5823651 | | Predicted Log 10(IC50) values | 4.7128341 | | 2D Structure |  |
Record No:177
|
| DB_ACCESS_NUMBER | PPIM2171 | | CID | 344766 | | CHEMBL_ID | | | NSC_ID | NSC401857 | | PDB_CODE | | | Molecular Weight (g/mol) | 457.86 | | XLogP3-AA | 1.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 11 | | Complexity | 653 | | Topological Polar Surface Area (A^2) | 127 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4353512 | | Predicted Log 10(IC50) values | 4.9305623 | | 2D Structure |  |
Record No:178
|
| DB_ACCESS_NUMBER | PPIM2172 | | CID | 345994 | | CHEMBL_ID | | | NSC_ID | NSC403983 | | PDB_CODE | | | Molecular Weight (g/mol) | 478.49 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 10 | | Complexity | 666 | | Topological Polar Surface Area (A^2) | 112 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5865278 | | Predicted Log 10(IC50) values | 4.884482 | | 2D Structure |  |
Record No:179
|
| DB_ACCESS_NUMBER | PPIM2173 | | CID | 347913 | | CHEMBL_ID | | | NSC_ID | NSC406827 | | PDB_CODE | | | Molecular Weight (g/mol) | 478.5 | | XLogP3-AA | 6.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 11 | | Complexity | 683 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5245248 | | Predicted Log 10(IC50) values | 4.8029612 | | 2D Structure |  |
Record No:180
|
| DB_ACCESS_NUMBER | PPIM2174 | | CID | 347914 | | CHEMBL_ID | | | NSC_ID | NSC406828 | | PDB_CODE | | | Molecular Weight (g/mol) | 492.52 | | XLogP3-AA | 6.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 12 | | Complexity | 699 | | Topological Polar Surface Area (A^2) | 86.7 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5234775 | | Predicted Log 10(IC50) values | 4.7426328 | | 2D Structure |  |
Record No:181
|
| DB_ACCESS_NUMBER | PPIM2175 | | CID | 348076 | | CHEMBL_ID | | | NSC_ID | NSC407113 | | PDB_CODE | | | Molecular Weight (g/mol) | 489.57 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 9 | | Complexity | 686 | | Topological Polar Surface Area (A^2) | 103 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5710986 | | Predicted Log 10(IC50) values | 4.8119392 | | 2D Structure |  |
Record No:182
|
| DB_ACCESS_NUMBER | PPIM2176 | | CID | 349861 | | CHEMBL_ID | | | NSC_ID | NSC409739 | | PDB_CODE | | | Molecular Weight (g/mol) | 479.33 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 4 | | Complexity | 682 | | Topological Polar Surface Area (A^2) | 97.9 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4006054 | | Predicted Log 10(IC50) values | 4.8407618 | | 2D Structure |  |
Record No:183
|
| DB_ACCESS_NUMBER | PPIM2177 | | CID | 350191 | | CHEMBL_ID | | | NSC_ID | NSC508418 | | PDB_CODE | | | Molecular Weight (g/mol) | 353.38 | | XLogP3-AA | 3.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 827 | | Topological Polar Surface Area (A^2) | 75.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4869978 | | Predicted Log 10(IC50) values | 4.6631691 | | 2D Structure |  |
Record No:184
|
| DB_ACCESS_NUMBER | PPIM2178 | | CID | 352075 | | CHEMBL_ID | | | NSC_ID | NSC525819 | | PDB_CODE | | | Molecular Weight (g/mol) | 460.53 | | XLogP3-AA | 3.4 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 11 | | Complexity | 641 | | Topological Polar Surface Area (A^2) | 123 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4616599 | | Predicted Log 10(IC50) values | 4.9200257 | | 2D Structure |  |
Record No:185
|
| DB_ACCESS_NUMBER | PPIM2179 | | CID | 352616 | | CHEMBL_ID | | | NSC_ID | NSC527224 | | PDB_CODE | | | Molecular Weight (g/mol) | 460.53 | | XLogP3-AA | 3.4 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 10 | | Complexity | 641 | | Topological Polar Surface Area (A^2) | 123 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4633735 | | Predicted Log 10(IC50) values | 4.9196881 | | 2D Structure |  |
Record No:186
|
| DB_ACCESS_NUMBER | PPIM2180 | | CID | 353546 | | CHEMBL_ID | | | NSC_ID | NSC602120 | | PDB_CODE | | | Molecular Weight (g/mol) | 481.98 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 5 | | Complexity | 700 | | Topological Polar Surface Area (A^2) | 89 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4035339 | | Predicted Log 10(IC50) values | 4.7660423 | | 2D Structure |  |
Record No:187
|
| DB_ACCESS_NUMBER | PPIM2181 | | CID | 353595 | | CHEMBL_ID | | | NSC_ID | NSC602250 | | PDB_CODE | | | Molecular Weight (g/mol) | 502.66 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 8 | | Complexity | 673 | | Topological Polar Surface Area (A^2) | 96.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4091331 | | Predicted Log 10(IC50) values | 4.8017708 | | 2D Structure |  |
Record No:188
|
| DB_ACCESS_NUMBER | PPIM2182 | | CID | 353633 | | CHEMBL_ID | | | NSC_ID | NSC602606 | | PDB_CODE | | | Molecular Weight (g/mol) | 269.3 | | XLogP3-AA | 0.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 678 | | Topological Polar Surface Area (A^2) | 58.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4892024 | | Predicted Log 10(IC50) values | 5.2630562 | | 2D Structure |  |
Record No:189
|
| DB_ACCESS_NUMBER | PPIM2183 | | CID | 353635 | | CHEMBL_ID | | | NSC_ID | NSC602608 | | PDB_CODE | | | Molecular Weight (g/mol) | 239.27 | | XLogP3-AA | 1.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 616 | | Topological Polar Surface Area (A^2) | 49.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4758824 | | Predicted Log 10(IC50) values | 5.5598874 | | 2D Structure |  |
Record No:190
|
| DB_ACCESS_NUMBER | PPIM2184 | | CID | 353636 | | CHEMBL_ID | | | NSC_ID | NSC602609 | | PDB_CODE | | | Molecular Weight (g/mol) | 269.3 | | XLogP3-AA | 1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 678 | | Topological Polar Surface Area (A^2) | 58.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4909914 | | Predicted Log 10(IC50) values | 5.2633475 | | 2D Structure |  |
Record No:191
|
| DB_ACCESS_NUMBER | PPIM2185 | | CID | 354164 | | CHEMBL_ID | | | NSC_ID | NSC605084 | | PDB_CODE | | | Molecular Weight (g/mol) | 464.40 | | XLogP3-AA | 2.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 15 | | Complexity | 646 | | Topological Polar Surface Area (A^2) | 114 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4317667 | | Predicted Log 10(IC50) values | 4.9244257 | | 2D Structure |  |
Record No:192
|
| DB_ACCESS_NUMBER | PPIM2186 | | CID | 354229 | | CHEMBL_ID | | | NSC_ID | NSC605227 | | PDB_CODE | | | Molecular Weight (g/mol) | 382.5 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 827 | | Topological Polar Surface Area (A^2) | 55.9 | | Heavy Atom Count | 28 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4227806 | | Predicted Log 10(IC50) values | 4.6137717 | | 2D Structure |  |
Record No:193
|
| DB_ACCESS_NUMBER | PPIM2187 | | CID | 354868 | | CHEMBL_ID | | | NSC_ID | NSC607583 | | PDB_CODE | | | Molecular Weight (g/mol) | 285.31 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 648 | | Topological Polar Surface Area (A^2) | 54.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6179249 | | Predicted Log 10(IC50) values | 5.3403425 | | 2D Structure |  |
Record No:194
|
| DB_ACCESS_NUMBER | PPIM2188 | | CID | 355605 | | CHEMBL_ID | | | NSC_ID | NSC609546 | | PDB_CODE | | | Molecular Weight (g/mol) | 480.52 | | XLogP3-AA | 5.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 12 | | Rotatable Bond Count | 10 | | Complexity | 691 | | Topological Polar Surface Area (A^2) | 115 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5128687 | | Predicted Log 10(IC50) values | 4.8667049 | | 2D Structure |  |
Record No:195
|
| DB_ACCESS_NUMBER | PPIM2189 | | CID | 355716 | | CHEMBL_ID | | | NSC_ID | NSC609821 | | PDB_CODE | | | Molecular Weight (g/mol) | 468.67 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 5 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 9 | | Complexity | 667 | | Topological Polar Surface Area (A^2) | 118 | | Heavy Atom Count | 33 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5049071 | | Predicted Log 10(IC50) values | 4.9018187 | | 2D Structure |  |
Record No:196
|
| DB_ACCESS_NUMBER | PPIM2190 | | CID | 356231 | | CHEMBL_ID | | | NSC_ID | NSC611384 | | PDB_CODE | | | Molecular Weight (g/mol) | 260.29 | | XLogP3-AA | 1.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 646 | | Topological Polar Surface Area (A^2) | 41.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.8092969 | | Predicted Log 10(IC50) values | 5.4626407 | | 2D Structure |  |
Record No:197
|
| DB_ACCESS_NUMBER | PPIM2191 | | CID | 356859 | | CHEMBL_ID | | | NSC_ID | NSC614350 | | PDB_CODE | | | Molecular Weight (g/mol) | 316.36 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 814 | | Topological Polar Surface Area (A^2) | 62.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.522044 | | Predicted Log 10(IC50) values | 4.7090855 | | 2D Structure |  |
Record No:198
|
| DB_ACCESS_NUMBER | PPIM2192 | | CID | 357293 | | CHEMBL_ID | | | NSC_ID | NSC615482 | | PDB_CODE | | | Molecular Weight (g/mol) | 310.34 | | XLogP3-AA | 0.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 800 | | Topological Polar Surface Area (A^2) | 52.6 | | Heavy Atom Count | 23 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5370942 | | Predicted Log 10(IC50) values | 4.7685951 | | 2D Structure |  |
Record No:199
|
| DB_ACCESS_NUMBER | PPIM2193 | | CID | 358208 | | CHEMBL_ID | CHEMBL1982540 | | NSC_ID | NSC618099 | | PDB_CODE | | | Molecular Weight (g/mol) | 474.46 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 8 | | Complexity | 671 | | Topological Polar Surface Area (A^2) | 108 | | Heavy Atom Count | 34 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5389333 | | Predicted Log 10(IC50) values | 4.8838455 | | 2D Structure |  |
Record No:200
|
| DB_ACCESS_NUMBER | PPIM2194 | | CID | 359553 | | CHEMBL_ID | | | NSC_ID | NSC620544 | | PDB_CODE | | | Molecular Weight (g/mol) | 491.62 | | XLogP3-AA | 7.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 4 | | Complexity | 680 | | Topological Polar Surface Area (A^2) | 84.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4325987 | | Predicted Log 10(IC50) values | 4.7709328 | | 2D Structure |  |
Record No:201
|
| DB_ACCESS_NUMBER | PPIM2195 | | CID | 362710 | | CHEMBL_ID | | | NSC_ID | NSC626949 | | PDB_CODE | | | Molecular Weight (g/mol) | 482.57 | | XLogP3-AA | 6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 11 | | Complexity | 705 | | Topological Polar Surface Area (A^2) | 94.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4811183 | | Predicted Log 10(IC50) values | 4.7793122 | | 2D Structure |  |
Record No:202
|
| DB_ACCESS_NUMBER | PPIM2196 | | CID | 362720 | | CHEMBL_ID | | | NSC_ID | NSC626964 | | PDB_CODE | | | Molecular Weight (g/mol) | 474.64 | | XLogP3-AA | 1.3 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 13 | | Complexity | 665 | | Topological Polar Surface Area (A^2) | 125 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4809473 | | Predicted Log 10(IC50) values | 4.902975 | | 2D Structure |  |
Record No:203
|
| DB_ACCESS_NUMBER | PPIM2197 | | CID | 363756 | | CHEMBL_ID | | | NSC_ID | NSC628948 | | PDB_CODE | | | Molecular Weight (g/mol) | 254.24 | | XLogP3-AA | 1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 660 | | Topological Polar Surface Area (A^2) | 59 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5728623 | | Predicted Log 10(IC50) values | 5.3505722 | | 2D Structure |  |
Record No:204
|
| DB_ACCESS_NUMBER | PPIM2198 | | CID | 363760 | | CHEMBL_ID | | | NSC_ID | NSC628952 | | PDB_CODE | | | Molecular Weight (g/mol) | 268.27 | | XLogP3-AA | 1.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 675 | | Topological Polar Surface Area (A^2) | 59 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5123753 | | Predicted Log 10(IC50) values | 5.2761166 | | 2D Structure |  |
Record No:205
|
| DB_ACCESS_NUMBER | PPIM2199 | | CID | 363974 | | CHEMBL_ID | | | NSC_ID | NSC629594 | | PDB_CODE | | | Molecular Weight (g/mol) | 328.40 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 759 | | Topological Polar Surface Area (A^2) | 63.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4298685 | | Predicted Log 10(IC50) values | 4.8809184 | | 2D Structure |  |
Record No:206
|
| DB_ACCESS_NUMBER | PPIM2200 | | CID | 364312 | | CHEMBL_ID | | | NSC_ID | NSC630330 | | PDB_CODE | | | Molecular Weight (g/mol) | 492.13 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 8 | | Complexity | 665 | | Topological Polar Surface Area (A^2) | 102 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4207339 | | Predicted Log 10(IC50) values | 4.8495009 | | 2D Structure |  |
Record No:207
|
| DB_ACCESS_NUMBER | PPIM2201 | | CID | 364723 | | CHEMBL_ID | | | NSC_ID | NSC631381 | | PDB_CODE | | | Molecular Weight (g/mol) | 277.32 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 621 | | Topological Polar Surface Area (A^2) | 47.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.7716667 | | Predicted Log 10(IC50) values | 5.4629122 | | 2D Structure |  |
Record No:208
|
| DB_ACCESS_NUMBER | PPIM2202 | | CID | 367609 | | CHEMBL_ID | | | NSC_ID | NSC637441 | | PDB_CODE | | | Molecular Weight (g/mol) | 460.28 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 7 | | Complexity | 673 | | Topological Polar Surface Area (A^2) | 109 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4003321 | | Predicted Log 10(IC50) values | 4.8917972 | | 2D Structure |  |
Record No:209
|
| DB_ACCESS_NUMBER | PPIM2203 | | CID | 367738 | | CHEMBL_ID | | | NSC_ID | NSC637677 | | PDB_CODE | | | Molecular Weight (g/mol) | 463.59 | | XLogP3-AA | 6.4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 9 | | Complexity | 676 | | Topological Polar Surface Area (A^2) | 116 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4991875 | | Predicted Log 10(IC50) values | 4.8898807 | | 2D Structure |  |
Record No:210
|
| DB_ACCESS_NUMBER | PPIM2204 | | CID | 368604 | | CHEMBL_ID | | | NSC_ID | NSC639713 | | PDB_CODE | | | Molecular Weight (g/mol) | 483.56 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 11 | | Complexity | 702 | | Topological Polar Surface Area (A^2) | 92.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4681265 | | Predicted Log 10(IC50) values | 4.7753 | | 2D Structure |  |
Record No:211
|
| DB_ACCESS_NUMBER | PPIM2205 | | CID | 369436 | | CHEMBL_ID | | | NSC_ID | NSC641206 | | PDB_CODE | | | Molecular Weight (g/mol) | 481.43 | | XLogP3-AA | 2.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 12 | | Complexity | 677 | | Topological Polar Surface Area (A^2) | 119 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.503066 | | Predicted Log 10(IC50) values | 4.887324 | | 2D Structure |  |
Record No:212
|
| DB_ACCESS_NUMBER | PPIM2206 | | CID | 370688 | | CHEMBL_ID | | | NSC_ID | NSC644075 | | PDB_CODE | | | Molecular Weight (g/mol) | 465.55 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 12 | | Complexity | 674 | | Topological Polar Surface Area (A^2) | 111 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4940903 | | Predicted Log 10(IC50) values | 4.8801929 | | 2D Structure |  |
Record No:213
|
| DB_ACCESS_NUMBER | PPIM2207 | | CID | 370694 | | CHEMBL_ID | | | NSC_ID | NSC644081 | | PDB_CODE | | | Molecular Weight (g/mol) | 479.58 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 13 | | Complexity | 689 | | Topological Polar Surface Area (A^2) | 111 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5170878 | | Predicted Log 10(IC50) values | 4.8451971 | | 2D Structure |  |
Record No:214
|
| DB_ACCESS_NUMBER | PPIM2208 | | CID | 371062 | | CHEMBL_ID | | | NSC_ID | NSC644961 | | PDB_CODE | | | Molecular Weight (g/mol) | 487.98 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 12 | | Complexity | 653 | | Topological Polar Surface Area (A^2) | 111 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.418672 | | Predicted Log 10(IC50) values | 4.8837586 | | 2D Structure |  |
Record No:215
|
| DB_ACCESS_NUMBER | PPIM2209 | | CID | 371681 | | CHEMBL_ID | | | NSC_ID | NSC646118 | | PDB_CODE | | | Molecular Weight (g/mol) | 290.36 | | XLogP3-AA | 1.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 647 | | Topological Polar Surface Area (A^2) | 47.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5771112 | | Predicted Log 10(IC50) values | 5.3585388 | | 2D Structure |  |
Record No:216
|
| DB_ACCESS_NUMBER | PPIM2210 | | CID | 372977 | | CHEMBL_ID | | | NSC_ID | NSC648765 | | PDB_CODE | | | Molecular Weight (g/mol) | 291.30 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 652 | | Topological Polar Surface Area (A^2) | 63.2 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4062716 | | Predicted Log 10(IC50) values | 5.2791167 | | 2D Structure |  |
Record No:217
|
| DB_ACCESS_NUMBER | PPIM2211 | | CID | 373016 | | CHEMBL_ID | | | NSC_ID | NSC648843 | | PDB_CODE | | | Molecular Weight (g/mol) | 471.50 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 13 | | Complexity | 666 | | Topological Polar Surface Area (A^2) | 109 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5484952 | | Predicted Log 10(IC50) values | 4.8887999 | | 2D Structure |  |
Record No:218
|
| DB_ACCESS_NUMBER | PPIM2212 | | CID | 374920 | | CHEMBL_ID | | | NSC_ID | NSC653505 | | PDB_CODE | | | Molecular Weight (g/mol) | 466.61 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 9 | | Complexity | 679 | | Topological Polar Surface Area (A^2) | 97.7 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4228739 | | Predicted Log 10(IC50) values | 4.8523679 | | 2D Structure |  |
Record No:219
|
| DB_ACCESS_NUMBER | PPIM2213 | | CID | 375302 | | CHEMBL_ID | | | NSC_ID | NSC654819 | | PDB_CODE | | | Molecular Weight (g/mol) | 478.95 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 8 | | Complexity | 641 | | Topological Polar Surface Area (A^2) | 115 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4011479 | | Predicted Log 10(IC50) values | 4.9131402 | | 2D Structure |  |
Record No:220
|
| DB_ACCESS_NUMBER | PPIM2214 | | CID | 375341 | | CHEMBL_ID | | | NSC_ID | NSC654955 | | PDB_CODE | | | Molecular Weight (g/mol) | 470.62 | | XLogP3-AA | 3.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 16 | | Complexity | 656 | | Topological Polar Surface Area (A^2) | 131 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4541979 | | Predicted Log 10(IC50) values | 4.9262289 | | 2D Structure |  |
Record No:221
|
| DB_ACCESS_NUMBER | PPIM2215 | | CID | 376183 | | CHEMBL_ID | CHEMBL1974007 | | NSC_ID | NSC656716 | | PDB_CODE | | | Molecular Weight (g/mol) | 469.57 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 11 | | Complexity | 668 | | Topological Polar Surface Area (A^2) | 94.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4428034 | | Predicted Log 10(IC50) values | 4.8580562 | | 2D Structure |  |
Record No:222
|
| DB_ACCESS_NUMBER | PPIM2216 | | CID | 376621 | | CHEMBL_ID | | | NSC_ID | NSC657651 | | PDB_CODE | | | Molecular Weight (g/mol) | 459.50 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 6 | | Complexity | 660 | | Topological Polar Surface Area (A^2) | 129 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4341388 | | Predicted Log 10(IC50) values | 4.9104401 | | 2D Structure |  |
Record No:223
|
| DB_ACCESS_NUMBER | PPIM2217 | | CID | 377037 | | CHEMBL_ID | | | NSC_ID | NSC658254 | | PDB_CODE | | | Molecular Weight (g/mol) | 482.76 | | XLogP3-AA | 6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 7 | | Complexity | 646 | | Topological Polar Surface Area (A^2) | 116 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.410955 | | Predicted Log 10(IC50) values | 4.9092583 | | 2D Structure |  |
Record No:224
|
| DB_ACCESS_NUMBER | PPIM2218 | | CID | 377172 | | CHEMBL_ID | | | NSC_ID | NSC658387 | | PDB_CODE | | | Molecular Weight (g/mol) | 268.31 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 635 | | Topological Polar Surface Area (A^2) | 58.2 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.7437153 | | Predicted Log 10(IC50) values | 5.4010698 | | 2D Structure |  |
Record No:225
|
| DB_ACCESS_NUMBER | PPIM2219 | | CID | 379196 | | CHEMBL_ID | | | NSC_ID | NSC663608 | | PDB_CODE | | | Molecular Weight (g/mol) | 472.61 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 16 | | Complexity | 660 | | Topological Polar Surface Area (A^2) | 110 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5535543 | | Predicted Log 10(IC50) values | 4.8982531 | | 2D Structure |  |
Record No:226
|
| DB_ACCESS_NUMBER | PPIM2220 | | CID | 379535 | | CHEMBL_ID | | | NSC_ID | NSC664208 | | PDB_CODE | | | Molecular Weight (g/mol) | 486.64 | | XLogP3-AA | 5.6 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 17 | | Complexity | 675 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5890919 | | Predicted Log 10(IC50) values | 4.8648735 | | 2D Structure |  |
Record No:227
|
| DB_ACCESS_NUMBER | PPIM2221 | | CID | 380022 | | CHEMBL_ID | | | NSC_ID | NSC665317 | | PDB_CODE | | | Molecular Weight (g/mol) | 502.61 | | XLogP3-AA | 3.4 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 11 | | Complexity | 695 | | Topological Polar Surface Area (A^2) | 99.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4605364 | | Predicted Log 10(IC50) values | 4.7658488 | | 2D Structure |  |
Record No:228
|
| DB_ACCESS_NUMBER | PPIM2222 | | CID | 381063 | | CHEMBL_ID | | | NSC_ID | NSC667082 | | PDB_CODE | | | Molecular Weight (g/mol) | 454.54 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 8 | | Complexity | 629 | | Topological Polar Surface Area (A^2) | 135 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4048154 | | Predicted Log 10(IC50) values | 4.9372511 | | 2D Structure |  |
Record No:229
|
| DB_ACCESS_NUMBER | PPIM2223 | | CID | 382254 | | CHEMBL_ID | | | NSC_ID | NSC669709 | | PDB_CODE | | | Molecular Weight (g/mol) | 484.54 | | XLogP3-AA | 3.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 16 | | Complexity | 673 | | Topological Polar Surface Area (A^2) | 120 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5398031 | | Predicted Log 10(IC50) values | 4.8852473 | | 2D Structure |  |
Record No:230
|
| DB_ACCESS_NUMBER | PPIM2224 | | CID | 382258 | | CHEMBL_ID | | | NSC_ID | NSC669713 | | PDB_CODE | | | Molecular Weight (g/mol) | 456.49 | | XLogP3-AA | 3.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 12 | | Complexity | 635 | | Topological Polar Surface Area (A^2) | 120 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4002123 | | Predicted Log 10(IC50) values | 4.9295883 | | 2D Structure |  |
Record No:231
|
| DB_ACCESS_NUMBER | PPIM2225 | | CID | 382321 | | CHEMBL_ID | | | NSC_ID | NSC669780 | | PDB_CODE | | | Molecular Weight (g/mol) | 451.51 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 14 | | Complexity | 656 | | Topological Polar Surface Area (A^2) | 117 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4057478 | | Predicted Log 10(IC50) values | 4.9234892 | | 2D Structure |  |
Record No:232
|
| DB_ACCESS_NUMBER | PPIM2226 | | CID | 382340 | | CHEMBL_ID | | | NSC_ID | NSC669807 | | PDB_CODE | | | Molecular Weight (g/mol) | 485.52 | | XLogP3-AA | 6.9 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 8 | | Complexity | 682 | | Topological Polar Surface Area (A^2) | 79.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4044187 | | Predicted Log 10(IC50) values | 4.7666667 | | 2D Structure |  |
Record No:233
|
| DB_ACCESS_NUMBER | PPIM2227 | | CID | 382342 | | CHEMBL_ID | | | NSC_ID | NSC669811 | | PDB_CODE | | | Molecular Weight (g/mol) | 508.71 | | XLogP3-AA | 8.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 15 | | Complexity | 699 | | Topological Polar Surface Area (A^2) | 99.9 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4508903 | | Predicted Log 10(IC50) values | 4.7509535 | | 2D Structure |  |
Record No:234
|
| DB_ACCESS_NUMBER | PPIM2228 | | CID | 383300 | | CHEMBL_ID | | | NSC_ID | NSC671413 | | PDB_CODE | | | Molecular Weight (g/mol) | 388.50 | | XLogP3-AA | 7.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 4 | | Complexity | 531 | | Topological Polar Surface Area (A^2) | 99.7 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.401829 | | Predicted Log 10(IC50) values | 4.935262 | | 2D Structure |  |
Record No:235
|
| DB_ACCESS_NUMBER | PPIM2229 | | CID | 384656 | | CHEMBL_ID | CHEMBL1989455 | | NSC_ID | NSC674701 | | PDB_CODE | | | Molecular Weight (g/mol) | 363.46 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 837 | | Topological Polar Surface Area (A^2) | 48.2 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4719254 | | Predicted Log 10(IC50) values | 4.5791948 | | 2D Structure |  |
Record No:236
|
| DB_ACCESS_NUMBER | PPIM2230 | | CID | 385079 | | CHEMBL_ID | CHEMBL1976664 | | NSC_ID | NSC676008 | | PDB_CODE | | | Molecular Weight (g/mol) | 468.63 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 6 | | Complexity | 649 | | Topological Polar Surface Area (A^2) | 105 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4177229 | | Predicted Log 10(IC50) values | 4.8982925 | | 2D Structure |  |
Record No:237
|
| DB_ACCESS_NUMBER | PPIM2231 | | CID | 386074 | | CHEMBL_ID | | | NSC_ID | NSC677647 | | PDB_CODE | | | Molecular Weight (g/mol) | 476.48 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 6 | | Complexity | 668 | | Topological Polar Surface Area (A^2) | 101 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5066286 | | Predicted Log 10(IC50) values | 4.8711319 | | 2D Structure |  |
Record No:238
|
| DB_ACCESS_NUMBER | PPIM2232 | | CID | 386869 | | CHEMBL_ID | CHEMBL1981111 | | NSC_ID | NSC679683 | | PDB_CODE | | | Molecular Weight (g/mol) | 463.57 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 14 | | Complexity | 653 | | Topological Polar Surface Area (A^2) | 123 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5029828 | | Predicted Log 10(IC50) values | 4.9178294 | | 2D Structure |  |
Record No:239
|
| DB_ACCESS_NUMBER | PPIM2233 | | CID | 387002 | | CHEMBL_ID | CHEMBL18216 | | NSC_ID | NSC680315 | | PDB_CODE | | | Molecular Weight (g/mol) | 502.56 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 10 | | Complexity | 690 | | Topological Polar Surface Area (A^2) | 95.1 | | Heavy Atom Count | 37 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 200000 | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4689703 | | Predicted Log 10(IC50) values | 4.7637269 | | 2D Structure |  |
Record No:240
|
| DB_ACCESS_NUMBER | PPIM2234 | | CID | 387339 | | CHEMBL_ID | CHEMBL1998934 | | NSC_ID | NSC681083 | | PDB_CODE | | | Molecular Weight (g/mol) | 480.64 | | XLogP3-AA | 1.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 4 | | Complexity | 685 | | Topological Polar Surface Area (A^2) | 116 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4230666 | | Predicted Log 10(IC50) values | 4.8664027 | | 2D Structure |  |
Record No:241
|
| DB_ACCESS_NUMBER | PPIM2235 | | CID | 387429 | | CHEMBL_ID | CHEMBL1972779 | | NSC_ID | NSC681178 | | PDB_CODE | | | Molecular Weight (g/mol) | 454.86 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 5 | | Complexity | 647 | | Topological Polar Surface Area (A^2) | 134 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4076734 | | Predicted Log 10(IC50) values | 4.9355997 | | 2D Structure |  |
Record No:242
|
| DB_ACCESS_NUMBER | PPIM2236 | | CID | 387845 | | CHEMBL_ID | CHEMBL1986971 | | NSC_ID | NSC682005 | | PDB_CODE | | | Molecular Weight (g/mol) | 291.35 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 651 | | Topological Polar Surface Area (A^2) | 56.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4848164 | | Predicted Log 10(IC50) values | 5.310368 | | 2D Structure |  |
Record No:243
|
| DB_ACCESS_NUMBER | PPIM2237 | | CID | 387846 | | CHEMBL_ID | CHEMBL1969384 | | NSC_ID | NSC682006 | | PDB_CODE | | | Molecular Weight (g/mol) | 291.35 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 636 | | Topological Polar Surface Area (A^2) | 47.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5970125 | | Predicted Log 10(IC50) values | 5.3859539 | | 2D Structure |  |
Record No:244
|
| DB_ACCESS_NUMBER | PPIM2238 | | CID | 389711 | | CHEMBL_ID | CHEMBL1965783 | | NSC_ID | NSC686291 | | PDB_CODE | | | Molecular Weight (g/mol) | 292.33 | | XLogP3-AA | 0.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 1 | | Complexity | 626 | | Topological Polar Surface Area (A^2) | 60.6 | | Heavy Atom Count | 21 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5389274 | | Predicted Log 10(IC50) values | 5.3621494 | | 2D Structure |  |
Record No:245
|
| DB_ACCESS_NUMBER | PPIM2239 | | CID | 390249 | | CHEMBL_ID | CHEMBL1978430 | | NSC_ID | NSC687541 | | PDB_CODE | | | Molecular Weight (g/mol) | 489.57 | | XLogP3-AA | 5.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 11 | | Complexity | 690 | | Topological Polar Surface Area (A^2) | 113 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5480521 | | Predicted Log 10(IC50) values | 4.835034 | | 2D Structure |  |
Record No:246
|
| DB_ACCESS_NUMBER | PPIM2240 | | CID | 390932 | | CHEMBL_ID | CHEMBL1988979 | | NSC_ID | NSC689185 | | PDB_CODE | | | Molecular Weight (g/mol) | 466.53 | | XLogP3-AA | 5.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 10 | | Complexity | 689 | | Topological Polar Surface Area (A^2) | 99.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4448744 | | Predicted Log 10(IC50) values | 4.8435923 | | 2D Structure |  |
Record No:247
|
| DB_ACCESS_NUMBER | PPIM2241 | | CID | 391009 | | CHEMBL_ID | CHEMBL19043 | | NSC_ID | NSC689417 | | PDB_CODE | | | Molecular Weight (g/mol) | 502.56 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 10 | | Complexity | 690 | | Topological Polar Surface Area (A^2) | 95.1 | | Heavy Atom Count | 37 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 200000 | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4689703 | | Predicted Log 10(IC50) values | 4.7637269 | | 2D Structure |  |
Record No:248
|
| DB_ACCESS_NUMBER | PPIM2242 | | CID | 391935 | | CHEMBL_ID | CHEMBL63473 | | NSC_ID | NSC691616 | | PDB_CODE | | | Molecular Weight (g/mol) | 455.24 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 8 | | Complexity | 636 | | Topological Polar Surface Area (A^2) | 130 | | Heavy Atom Count | 30 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 100000 | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4280201 | | Predicted Log 10(IC50) values | 4.9352502 | | 2D Structure |  |
Record No:249
|
| DB_ACCESS_NUMBER | PPIM2243 | | CID | 392021 | | CHEMBL_ID | CHEMBL1986191 | | NSC_ID | NSC691820 | | PDB_CODE | | | Molecular Weight (g/mol) | 768.62 | | XLogP3-AA | 3.4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 11 | | Complexity | 1390 | | Topological Polar Surface Area (A^2) | 157 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4235526 | | Predicted Log 10(IC50) values | 3.5966379 | | 2D Structure |  |
Record No:250
|
| DB_ACCESS_NUMBER | PPIM2244 | | CID | 392426 | | CHEMBL_ID | | | NSC_ID | NSC692904 | | PDB_CODE | | | Molecular Weight (g/mol) | 770.92 | | XLogP3-AA | 8.6 | | Hydrogen Bond Donor Count | 7 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 6 | | Complexity | 1360 | | Topological Polar Surface Area (A^2) | 153 | | Heavy Atom Count | 57 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4313036 | | Predicted Log 10(IC50) values | 3.4777324 | | 2D Structure |  |
Record No:251
|
| DB_ACCESS_NUMBER | PPIM2245 | | CID | 392427 | | CHEMBL_ID | | | NSC_ID | NSC692905 | | PDB_CODE | | | Molecular Weight (g/mol) | 770.92 | | XLogP3-AA | 8.8 | | Hydrogen Bond Donor Count | 7 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 5 | | Complexity | 1370 | | Topological Polar Surface Area (A^2) | 155 | | Heavy Atom Count | 57 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4329714 | | Predicted Log 10(IC50) values | 3.4899097 | | 2D Structure |  |
Record No:252
|
| DB_ACCESS_NUMBER | PPIM2246 | | CID | 393237 | | CHEMBL_ID | | | NSC_ID | NSC694864 | | PDB_CODE | | | Molecular Weight (g/mol) | 484.59 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 14 | | Complexity | 655 | | Topological Polar Surface Area (A^2) | 109 | | Heavy Atom Count | 35 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.477432 | | Predicted Log 10(IC50) values | 4.8828864 | | 2D Structure |  |
Record No:253
|
| DB_ACCESS_NUMBER | PPIM2247 | | CID | 393247 | | CHEMBL_ID | | | NSC_ID | NSC694874 | | PDB_CODE | | | Molecular Weight (g/mol) | 470.57 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 11 | | Complexity | 674 | | Topological Polar Surface Area (A^2) | 101 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5188874 | | Predicted Log 10(IC50) values | 4.8537686 | | 2D Structure |  |
Record No:254
|
| DB_ACCESS_NUMBER | PPIM2248 | | CID | 393279 | | CHEMBL_ID | CHEMBL1967733 | | NSC_ID | NSC694945 | | PDB_CODE | | | Molecular Weight (g/mol) | 373.41 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 5 | | Complexity | 817 | | Topological Polar Surface Area (A^2) | 64.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4981077 | | Predicted Log 10(IC50) values | 4.6656914 | | 2D Structure |  |
Record No:255
|
| DB_ACCESS_NUMBER | PPIM2249 | | CID | 393669 | | CHEMBL_ID | | | NSC_ID | NSC696043 | | PDB_CODE | | | Molecular Weight (g/mol) | 469.26 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 9 | | Complexity | 649 | | Topological Polar Surface Area (A^2) | 108 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4489419 | | Predicted Log 10(IC50) values | 4.9100106 | | 2D Structure |  |
Record No:256
|
| DB_ACCESS_NUMBER | PPIM2250 | | CID | 393762 | | CHEMBL_ID | CHEMBL63680 | | NSC_ID | NSC696443 | | PDB_CODE | | | Molecular Weight (g/mol) | 483.29 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 10 | | Complexity | 664 | | Topological Polar Surface Area (A^2) | 97.4 | | Heavy Atom Count | 32 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 16000 | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4786599 | | Predicted Log 10(IC50) values | 4.8595495 | | 2D Structure |  |
Record No:257
|
| DB_ACCESS_NUMBER | PPIM2251 | | CID | 394017 | | CHEMBL_ID | CHEMBL1999820 | | NSC_ID | NSC697135 | | PDB_CODE | | | Molecular Weight (g/mol) | 286.37 | | XLogP3-AA | 3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 4 | | Complexity | 602 | | Topological Polar Surface Area (A^2) | 58.2 | | 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 | Bcl2/Bak | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4302624 | | Predicted Log 10(IC50) values | 5.4248212 | | 2D Structure |  |
Record No:258
|
| DB_ACCESS_NUMBER | PPIM2252 | | CID | 394209 | | CHEMBL_ID | CHEMBL1983625 | | NSC_ID | NSC697491 | | PDB_CODE | | | Molecular Weight (g/mol) | 458.51 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 11 | | Complexity | 648 | | Topological Polar Surface Area (A^2) | 134 | | Heavy Atom Count | 33 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4190877 | | Predicted Log 10(IC50) values | 4.929215 | | 2D Structure |  |
Record No:259
|
| DB_ACCESS_NUMBER | PPIM2253 | | CID | 394894 | | CHEMBL_ID | CHEMBL1999529 | | NSC_ID | NSC698985 | | PDB_CODE | | | Molecular Weight (g/mol) | 495.38 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 689 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4221504 | | Predicted Log 10(IC50) values | 4.7942884 | | 2D Structure |  |
Record No:260
|
| DB_ACCESS_NUMBER | PPIM2254 | | CID | 395201 | | CHEMBL_ID | CHEMBL65753 | | NSC_ID | NSC699505 | | PDB_CODE | | | Molecular Weight (g/mol) | 483.29 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 10 | | Complexity | 666 | | Topological Polar Surface Area (A^2) | 130 | | Heavy Atom Count | 32 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 100000 | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4278693 | | Predicted Log 10(IC50) values | 4.9136347 | | 2D Structure |  |
Record No:261
|
| DB_ACCESS_NUMBER | PPIM2255 | | CID | 395585 | | CHEMBL_ID | | | NSC_ID | NSC700298, | | PDB_CODE | | | Molecular Weight (g/mol) | 483.29 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 10 | | Complexity | 664 | | Topological Polar Surface Area (A^2) | 108 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5416089 | | Predicted Log 10(IC50) values | 4.8801585 | | 2D Structure |  |
Record No:262
|
| DB_ACCESS_NUMBER | PPIM2256 | | CID | 395587 | | CHEMBL_ID | CHEMBL343149 | | NSC_ID | NSC700300 | | PDB_CODE | | | Molecular Weight (g/mol) | 497.32 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 11 | | Complexity | 679 | | Topological Polar Surface Area (A^2) | 97.4 | | Heavy Atom Count | 33 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 2200 | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4774505 | | Predicted Log 10(IC50) values | 4.8129356 | | 2D Structure |  |
Record No:263
|
| DB_ACCESS_NUMBER | PPIM2257 | | CID | 395935 | | CHEMBL_ID | CHEMBL1969399 | | NSC_ID | NSC701030 | | PDB_CODE | | | Molecular Weight (g/mol) | 280.28 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 625 | | Topological Polar Surface Area (A^2) | 64.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5840087 | | Predicted Log 10(IC50) values | 5.3659025 | | 2D Structure |  |
Record No:264
|
| DB_ACCESS_NUMBER | PPIM2258 | | CID | 396512 | | CHEMBL_ID | CHEMBL428685 | | NSC_ID | NSC702732 | | PDB_CODE | | | Molecular Weight (g/mol) | 484.54 | | XLogP3-AA | 5.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 13 | | Complexity | 700 | | Topological Polar Surface Area (A^2) | 97.4 | | Heavy Atom Count | 35 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 1000 | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.527993 | | Predicted Log 10(IC50) values | 4.795805 | | 2D Structure |  |
Record No:265
|
| DB_ACCESS_NUMBER | PPIM2259 | | CID | 397613 | | CHEMBL_ID | CHEMBL134059 | | NSC_ID | NSC705955 | | PDB_CODE | | | Molecular Weight (g/mol) | 492.47 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 13 | | Complexity | 710 | | Topological Polar Surface Area (A^2) | 97.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4590498 | | Predicted Log 10(IC50) values | 4.7673717 | | 2D Structure |  |
Record No:266
|
| DB_ACCESS_NUMBER | PPIM2260 | | CID | 3976461 | | CHEMBL_ID | | | NSC_ID | NSC99121 | | PDB_CODE | | | Molecular Weight (g/mol) | 500.57 | | XLogP3-AA | 7.2 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 9 | | Complexity | 687 | | Topological Polar Surface Area (A^2) | 118 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4482703 | | Predicted Log 10(IC50) values | 4.8425598 | | 2D Structure |  |
Record No:267
|
| DB_ACCESS_NUMBER | PPIM2261 | | CID | 398264 | | CHEMBL_ID | | | NSC_ID | NSC707978 | | PDB_CODE | | | Molecular Weight (g/mol) | 474.90 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 6 | | Complexity | 671 | | Topological Polar Surface Area (A^2) | 118 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5568416 | | Predicted Log 10(IC50) values | 4.8883447 | | 2D Structure |  |
Record No:268
|
| DB_ACCESS_NUMBER | PPIM2262 | | CID | 400001 | | CHEMBL_ID | | | NSC_ID | NSC711183 | | PDB_CODE | | | Molecular Weight (g/mol) | 472.47 | | XLogP3-AA | 1.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 10 | | Complexity | 681 | | Topological Polar Surface Area (A^2) | 98.8 | | Heavy Atom Count | 32 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4224403 | | Predicted Log 10(IC50) values | 4.858234 | | 2D Structure |  |
Record No:269
|
| DB_ACCESS_NUMBER | PPIM2263 | | CID | 400183 | | CHEMBL_ID | | | NSC_ID | NSC711696 | | PDB_CODE | | | Molecular Weight (g/mol) | 777.74 | | XLogP3-AA | 6.4 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 13 | | Complexity | 1350 | | Topological Polar Surface Area (A^2) | 149 | | Heavy Atom Count | 54 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4148374 | | Predicted Log 10(IC50) values | 3.3691455 | | 2D Structure |  |
Record No:270
|
| DB_ACCESS_NUMBER | PPIM2264 | | CID | 400545 | | CHEMBL_ID | CHEMBL1993094 | | NSC_ID | NSC712623 | | PDB_CODE | | | Molecular Weight (g/mol) | 458.43 | | XLogP3-AA | 3 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 15 | | Complexity | 648 | | Topological Polar Surface Area (A^2) | 114 | | Heavy Atom Count | 32 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4168944 | | Predicted Log 10(IC50) values | 4.927992 | | 2D Structure |  |
Record No:271
|
| DB_ACCESS_NUMBER | PPIM2265 | | CID | 400546 | | CHEMBL_ID | CHEMBL1977397 | | NSC_ID | NSC712624 | | PDB_CODE | | | Molecular Weight (g/mol) | 471.47 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 16 | | Complexity | 659 | | Topological Polar Surface Area (A^2) | 102 | | Heavy Atom Count | 33 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4820033 | | Predicted Log 10(IC50) values | 4.8920222 | | 2D Structure |  |
Record No:272
|
| DB_ACCESS_NUMBER | PPIM2266 | | CID | 400739 | | CHEMBL_ID | CHEMBL1979659 | | NSC_ID | NSC713170 | | PDB_CODE | | | Molecular Weight (g/mol) | 469.41 | | XLogP3-AA | 4.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 11 | | Complexity | 665 | | Topological Polar Surface Area (A^2) | 100 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4932497 | | Predicted Log 10(IC50) values | 4.8831301 | | 2D Structure |  |
Record No:273
|
| DB_ACCESS_NUMBER | PPIM2267 | | CID | 401356 | | CHEMBL_ID | | | NSC_ID | NSC714668 | | PDB_CODE | | | Molecular Weight (g/mol) | 491.60 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 6 | | Complexity | 676 | | Topological Polar Surface Area (A^2) | 86.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4175966 | | Predicted Log 10(IC50) values | 4.7892906 | | 2D Structure |  |
Record No:274
|
| DB_ACCESS_NUMBER | PPIM2268 | | CID | 401362 | | CHEMBL_ID | CHEMBL1999796 | | NSC_ID | NSC714674 | | PDB_CODE | | | Molecular Weight (g/mol) | 481.60 | | XLogP3-AA | 6.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 7 | | Complexity | 698 | | Topological Polar Surface Area (A^2) | 89.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.467663 | | Predicted Log 10(IC50) values | 4.7770995 | | 2D Structure |  |
Record No:275
|
| DB_ACCESS_NUMBER | PPIM2269 | | CID | 401366 | | CHEMBL_ID | | | NSC_ID | NSC714678 | | PDB_CODE | | | Molecular Weight (g/mol) | 494.61 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 6 | | Complexity | 686 | | Topological Polar Surface Area (A^2) | 98.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5227644 | | Predicted Log 10(IC50) values | 4.7954718 | | 2D Structure |  |
Record No:276
|
| DB_ACCESS_NUMBER | PPIM2270 | | CID | 401439 | | CHEMBL_ID | CHEMBL1975059 | | NSC_ID | NSC715099 | | PDB_CODE | | | Molecular Weight (g/mol) | 457.42 | | XLogP3-AA | 5.3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 11 | | Rotatable Bond Count | 9 | | Complexity | 656 | | Topological Polar Surface Area (A^2) | 131 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4566851 | | Predicted Log 10(IC50) values | 4.9342273 | | 2D Structure |  |
Record No:277
|
| DB_ACCESS_NUMBER | PPIM2271 | | CID | 402426 | | CHEMBL_ID | | | NSC_ID | NSC716357 | | PDB_CODE | | | Molecular Weight (g/mol) | 495.14 | | XLogP3-AA | 5.4 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 674 | | Topological Polar Surface Area (A^2) | 99.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4241171 | | Predicted Log 10(IC50) values | 4.8189918 | | 2D Structure |  |
Record No:278
|
| DB_ACCESS_NUMBER | PPIM2272 | | CID | 402646 | | CHEMBL_ID | | | NSC_ID | NSC716821 | | PDB_CODE | | | Molecular Weight (g/mol) | 481.54 | | XLogP3-AA | 5.2 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 10 | | Complexity | 674 | | Topological Polar Surface Area (A^2) | 108 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6086852 | | Predicted Log 10(IC50) values | 4.8619856 | | 2D Structure |  |
Record No:279
|
| DB_ACCESS_NUMBER | PPIM2273 | | CID | 402724 | | CHEMBL_ID | CHEMBL1981132 | | NSC_ID | NSC716912 | | PDB_CODE | | | Molecular Weight (g/mol) | 475.32 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 9 | | Complexity | 658 | | Topological Polar Surface Area (A^2) | 97.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4309187 | | Predicted Log 10(IC50) values | 4.8701504 | | 2D Structure |  |
Record No:280
|
| DB_ACCESS_NUMBER | PPIM2274 | | CID | 402725 | | CHEMBL_ID | CHEMBL1994106 | | NSC_ID | NSC716913 | | PDB_CODE | | | Molecular Weight (g/mol) | 483.38 | | XLogP3-AA | 5.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 10 | | Complexity | 660 | | Topological Polar Surface Area (A^2) | 97.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.454239 | | Predicted Log 10(IC50) values | 4.8574499 | | 2D Structure |  |
Record No:281
|
| DB_ACCESS_NUMBER | PPIM2275 | | CID | 403006 | | CHEMBL_ID | | | NSC_ID | NSC717479 | | PDB_CODE | | | Molecular Weight (g/mol) | 485.60 | | XLogP3-AA | 6.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 5 | | Complexity | 676 | | Topological Polar Surface Area (A^2) | 95.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5494639 | | Predicted Log 10(IC50) values | 4.8230365 | | 2D Structure |  |
Record No:282
|
| DB_ACCESS_NUMBER | PPIM2276 | | CID | 403194 | | CHEMBL_ID | CHEMBL1972069 | | NSC_ID | NSC717848 | | PDB_CODE | | | Molecular Weight (g/mol) | 481.98 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 6 | | Complexity | 667 | | Topological Polar Surface Area (A^2) | 116 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5278597 | | Predicted Log 10(IC50) values | 4.8884896 | | 2D Structure |  |
Record No:283
|
| DB_ACCESS_NUMBER | PPIM2277 | | CID | 403200 | | CHEMBL_ID | CHEMBL1971545 | | NSC_ID | NSC717855 | | PDB_CODE | | | Molecular Weight (g/mol) | 481.98 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 7 | | Complexity | 667 | | Topological Polar Surface Area (A^2) | 116 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5368771 | | Predicted Log 10(IC50) values | 4.8891044 | | 2D Structure |  |
Record No:284
|
| DB_ACCESS_NUMBER | PPIM2278 | | CID | 404448 | | CHEMBL_ID | | | NSC_ID | NSC720654, | | PDB_CODE | | | Molecular Weight (g/mol) | 286.29 | | XLogP3-AA | 2.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 604 | | Topological Polar Surface Area (A^2) | 53.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4875534 | | Predicted Log 10(IC50) values | 5.4421155 | | 2D Structure |  |
Record No:285
|
| DB_ACCESS_NUMBER | PPIM2279 | | CID | 405547 | | CHEMBL_ID | CHEMBL1988036 | | NSC_ID | NSC722910 | | PDB_CODE | | | Molecular Weight (g/mol) | 383.46 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 816 | | Topological Polar Surface Area (A^2) | 56.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4646999 | | Predicted Log 10(IC50) values | 4.6373369 | | 2D Structure |  |
Record No:286
|
| DB_ACCESS_NUMBER | PPIM2280 | | CID | 405551 | | CHEMBL_ID | CHEMBL2298737 | | NSC_ID | NSC722914 | | PDB_CODE | | | Molecular Weight (g/mol) | 381.49 | | XLogP3-AA | 5.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 825 | | Topological Polar Surface Area (A^2) | 46.9 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4917233 | | Predicted Log 10(IC50) values | 4.5925559 | | 2D Structure |  |
Record No:287
|
| DB_ACCESS_NUMBER | PPIM2281 | | CID | 405553 | | CHEMBL_ID | CHEMBL2298748 | | NSC_ID | NSC722916 | | PDB_CODE | | | Molecular Weight (g/mol) | 383.46 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 816 | | Topological Polar Surface Area (A^2) | 56.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4646999 | | Predicted Log 10(IC50) values | 4.6373369 | | 2D Structure |  |
Record No:288
|
| DB_ACCESS_NUMBER | PPIM2282 | | CID | 405978 | | CHEMBL_ID | CHEMBL1991776 | | NSC_ID | NSC723830 | | PDB_CODE | | | Molecular Weight (g/mol) | 459.54 | | XLogP3-AA | 6.6 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 5 | | Complexity | 662 | | Topological Polar Surface Area (A^2) | 131 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4635125 | | Predicted Log 10(IC50) values | 4.9232165 | | 2D Structure |  |
Record No:289
|
| DB_ACCESS_NUMBER | PPIM2283 | | CID | 406434 | | CHEMBL_ID | | | NSC_ID | NSC724508 | | PDB_CODE | | | Molecular Weight (g/mol) | 476.59 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 9 | | Complexity | 697 | | Topological Polar Surface Area (A^2) | 110 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.415803 | | Predicted Log 10(IC50) values | 4.8402226 | | 2D Structure |  |
Record No:290
|
| DB_ACCESS_NUMBER | PPIM2284 | | CID | 406709 | | CHEMBL_ID | | | NSC_ID | NSC724974 | | PDB_CODE | | | Molecular Weight (g/mol) | 382.41 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 827 | | Topological Polar Surface Area (A^2) | 60.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4239963 | | Predicted Log 10(IC50) values | 4.6179556 | | 2D Structure |  |
Record No:291
|
| DB_ACCESS_NUMBER | PPIM2285 | | CID | 406712 | | CHEMBL_ID | | | NSC_ID | NSC724977 | | PDB_CODE | | | Molecular Weight (g/mol) | 358.39 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 785 | | Topological Polar Surface Area (A^2) | 60.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5185761 | | Predicted Log 10(IC50) values | 4.7615752 | | 2D Structure |  |
Record No:292
|
| DB_ACCESS_NUMBER | PPIM2286 | | CID | 406854 | | CHEMBL_ID | | | NSC_ID | NSC725145 | | PDB_CODE | | | Molecular Weight (g/mol) | 284.39 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 616 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.7169395 | | Predicted Log 10(IC50) values | 5.4933388 | | 2D Structure |  |
Record No:293
|
| DB_ACCESS_NUMBER | PPIM2287 | | CID | 406860 | | CHEMBL_ID | | | NSC_ID | NSC725151 | | PDB_CODE | | | Molecular Weight (g/mol) | 298.42 | | XLogP3-AA | 3.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 631 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.476696 | | Predicted Log 10(IC50) values | 5.4123963 | | 2D Structure |  |
Record No:294
|
| DB_ACCESS_NUMBER | PPIM2288 | | CID | 419062 | | CHEMBL_ID | | | NSC_ID | NSC109850 | | PDB_CODE | | | Molecular Weight (g/mol) | 495.96 | | XLogP3-AA | 6.2 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 7 | | Complexity | 693 | | Topological Polar Surface Area (A^2) | 89 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4774911 | | Predicted Log 10(IC50) values | 4.7522066 | | 2D Structure |  |
Record No:295
|
| DB_ACCESS_NUMBER | PPIM2289 | | CID | 419137 | | CHEMBL_ID | | | NSC_ID | NSC111089 | | PDB_CODE | | | Molecular Weight (g/mol) | 496.64 | | XLogP3-AA | 5.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 6 | | Complexity | 683 | | Topological Polar Surface Area (A^2) | 109 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5055961 | | Predicted Log 10(IC50) values | 4.8234684 | | 2D Structure |  |
Record No:296
|
| DB_ACCESS_NUMBER | PPIM2290 | | CID | 419169 | | CHEMBL_ID | | | NSC_ID | NSC111336 | | PDB_CODE | | | Molecular Weight (g/mol) | 478.50 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 6 | | Complexity | 696 | | Topological Polar Surface Area (A^2) | 102 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4802029 | | Predicted Log 10(IC50) values | 4.8134674 | | 2D Structure |  |
Record No:297
|
| DB_ACCESS_NUMBER | PPIM2291 | | CID | 421848 | | CHEMBL_ID | | | NSC_ID | NSC138926 | | PDB_CODE | | | Molecular Weight (g/mol) | 489.56 | | XLogP3-AA | 2 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 7 | | Complexity | 661 | | Topological Polar Surface Area (A^2) | 110 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4659518 | | Predicted Log 10(IC50) values | 4.8749144 | | 2D Structure |  |
Record No:298
|
| DB_ACCESS_NUMBER | PPIM2292 | | CID | 429260 | | CHEMBL_ID | | | NSC_ID | NSC251784 | | PDB_CODE | | | Molecular Weight (g/mol) | 497.61 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 6 | | Complexity | 680 | | Topological Polar Surface Area (A^2) | 94.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4324759 | | Predicted Log 10(IC50) values | 4.7957772 | | 2D Structure |  |
Record No:299
|
| DB_ACCESS_NUMBER | PPIM2293 | | CID | 429409 | | CHEMBL_ID | | | NSC_ID | NSC254934 | | PDB_CODE | | | Molecular Weight (g/mol) | 293.32 | | XLogP3-AA | 1.5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 619 | | Topological Polar Surface Area (A^2) | 43.9 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5484797 | | Predicted Log 10(IC50) values | 5.4306128 | | 2D Structure |  |
Record No:300
|
| DB_ACCESS_NUMBER | PPIM2294 | | CID | 4306816 | | CHEMBL_ID | | | NSC_ID | NSC202086 | | PDB_CODE | | | Molecular Weight (g/mol) | 479.65 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 7 | | Complexity | 698 | | Topological Polar Surface Area (A^2) | 102 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4469387 | | Predicted Log 10(IC50) values | 4.8086453 | | 2D Structure |  |
Record No:301
|
| DB_ACCESS_NUMBER | PPIM2295 | | CID | 431614 | | CHEMBL_ID | | | NSC_ID | NSC295285 | | PDB_CODE | | | Molecular Weight (g/mol) | 282.29 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 672 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5152514 | | Predicted Log 10(IC50) values | 5.2846644 | | 2D Structure |  |
Record No:302
|
| DB_ACCESS_NUMBER | PPIM2296 | | CID | 433421 | | CHEMBL_ID | | | NSC_ID | NSC329500 | | PDB_CODE | | | Molecular Weight (g/mol) | 342.39 | | XLogP3-AA | 0.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 833 | | Topological Polar Surface Area (A^2) | 76.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4326281 | | Predicted Log 10(IC50) values | 4.6497957 | | 2D Structure |  |
Record No:303
|
| DB_ACCESS_NUMBER | PPIM2297 | | CID | 438262 | | CHEMBL_ID | CHEMBL1979508 | | NSC_ID | NSC629701 | | PDB_CODE | | | Molecular Weight (g/mol) | 269.68 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 600 | | Topological Polar Surface Area (A^2) | 53.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5169688 | | Predicted Log 10(IC50) values | 5.499593 | | 2D Structure |  |
Record No:304
|
| DB_ACCESS_NUMBER | PPIM2298 | | CID | 44118991 | | CHEMBL_ID | | | NSC_ID | NSC209950 | | PDB_CODE | | | Molecular Weight (g/mol) | 453.94 | | XLogP3-AA | 6.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 5 | | Complexity | 666 | | Topological Polar Surface Area (A^2) | 117 | | Heavy Atom Count | 31 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4362482 | | Predicted Log 10(IC50) values | 4.9055459 | | 2D Structure |  |
Record No:305
|
| DB_ACCESS_NUMBER | PPIM2299 | | CID | 45027958 | | CHEMBL_ID | | | NSC_ID | NSC740263 | | PDB_CODE | | | Molecular Weight (g/mol) | 491.99 | | XLogP3-AA | 5.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 8 | | Complexity | 671 | | Topological Polar Surface Area (A^2) | 94.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4822918 | | Predicted Log 10(IC50) values | 4.8214264 | | 2D Structure |  |
Record No:306
|
| DB_ACCESS_NUMBER | PPIM2300 | | CID | 45028113 | | CHEMBL_ID | | | NSC_ID | NSC741177 | | PDB_CODE | | | Molecular Weight (g/mol) | 453.52 | | XLogP3-AA | 5.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 7 | | Complexity | 667 | | Topological Polar Surface Area (A^2) | 111 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4072588 | | Predicted Log 10(IC50) values | 4.9016348 | | 2D Structure |  |
Record No:307
|
| DB_ACCESS_NUMBER | PPIM2301 | | CID | 45028114 | | CHEMBL_ID | | | NSC_ID | NSC741178 | | PDB_CODE | | | Molecular Weight (g/mol) | 487.96 | | XLogP3-AA | 5.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 7 | | Complexity | 701 | | Topological Polar Surface Area (A^2) | 111 | | Heavy Atom Count | 34 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4411033 | | Predicted Log 10(IC50) values | 4.8195864 | | 2D Structure |  |
Record No:308
|
| DB_ACCESS_NUMBER | PPIM2302 | | CID | 45028336 | | CHEMBL_ID | | | NSC_ID | NSC742248 | | PDB_CODE | | | Molecular Weight (g/mol) | 326.39 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 771 | | Topological Polar Surface Area (A^2) | 68.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5407238 | | Predicted Log 10(IC50) values | 4.8417322 | | 2D Structure |  |
Record No:309
|
| DB_ACCESS_NUMBER | PPIM2303 | | CID | 45028428 | | CHEMBL_ID | | | NSC_ID | NSC742823 | | PDB_CODE | | | Molecular Weight (g/mol) | 472.48 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 4 | | Complexity | 682 | | Topological Polar Surface Area (A^2) | 94.9 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4554658 | | Predicted Log 10(IC50) values | 4.83483 | | 2D Structure |  |
Record No:310
|
| DB_ACCESS_NUMBER | PPIM2304 | | CID | 45028594 | | CHEMBL_ID | | | NSC_ID | NSC743474 | | PDB_CODE | | | Molecular Weight (g/mol) | 458.59 | | XLogP3-AA | 5.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 5 | | Complexity | 668 | | Topological Polar Surface Area (A^2) | 105 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4303694 | | Predicted Log 10(IC50) values | 4.8889451 | | 2D Structure |  |
Record No:311
|
| DB_ACCESS_NUMBER | PPIM2305 | | CID | 45028632 | | CHEMBL_ID | | | NSC_ID | NSC743526 | | PDB_CODE | | | Molecular Weight (g/mol) | 484.56 | | XLogP3-AA | 7.4 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 9 | | Complexity | 685 | | Topological Polar Surface Area (A^2) | 91.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5898975 | | Predicted Log 10(IC50) values | 4.7989383 | | 2D Structure |  |
Record No:312
|
| DB_ACCESS_NUMBER | PPIM2306 | | CID | 45028638 | | CHEMBL_ID | | | NSC_ID | NSC743532 | | PDB_CODE | | | Molecular Weight (g/mol) | 474.52 | | XLogP3-AA | 6.5 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 9 | | Complexity | 680 | | Topological Polar Surface Area (A^2) | 105 | | Heavy Atom Count | 36 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6071246 | | Predicted Log 10(IC50) values | 4.8558607 | | 2D Structure |  |
Record No:313
|
| DB_ACCESS_NUMBER | PPIM2307 | | CID | 45029303 | | CHEMBL_ID | | | NSC_ID | NSC746063 | | PDB_CODE | | | Molecular Weight (g/mol) | 477.51 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 7 | | Complexity | 698 | | Topological Polar Surface Area (A^2) | 106 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4318468 | | Predicted Log 10(IC50) values | 4.8305307 | | 2D Structure |  |
Record No:314
|
| DB_ACCESS_NUMBER | PPIM2308 | | CID | 50987505 | | CHEMBL_ID | | | NSC_ID | NSC67004 | | PDB_CODE | | | Molecular Weight (g/mol) | 282.34 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 5 | | Complexity | 604 | | Topological Polar Surface Area (A^2) | 58.2 | | Heavy Atom Count | 21 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4810757 | | Predicted Log 10(IC50) values | 5.4327668 | | 2D Structure |  |
Record No:315
|
| DB_ACCESS_NUMBER | PPIM2309 | | CID | 51353353 | | CHEMBL_ID | | | NSC_ID | NSC750742 | | PDB_CODE | | | Molecular Weight (g/mol) | 464.53 | | XLogP3-AA | 5.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 8 | | Complexity | 672 | | Topological Polar Surface Area (A^2) | 99.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4747162 | | Predicted Log 10(IC50) values | 4.8739417 | | 2D Structure |  |
Record No:316
|
| DB_ACCESS_NUMBER | PPIM2310 | | CID | 51371333 | | CHEMBL_ID | | | NSC_ID | NSC760366 | | PDB_CODE | | | Molecular Weight (g/mol) | 500.55 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 13 | | Complexity | 693 | | Topological Polar Surface Area (A^2) | 96.2 | | Heavy Atom Count | 35 | | Defined Atom Stereocenter Count | 4 | | Defined Bond Stereocenter Count | 2 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4442757 | | Predicted Log 10(IC50) values | 4.7797471 | | 2D Structure |  |
Record No:317
|
| DB_ACCESS_NUMBER | PPIM2311 | | CID | 5203451 | | CHEMBL_ID | | | NSC_ID | NSC126212 | | PDB_CODE | | | Molecular Weight (g/mol) | 262.31 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 633 | | Topological Polar Surface Area (A^2) | 35.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.8721461 | | Predicted Log 10(IC50) values | 5.5229783 | | 2D Structure |  |
Record No:318
|
| DB_ACCESS_NUMBER | PPIM2312 | | CID | 5281545 | | CHEMBL_ID | | | NSC_ID | NSC112152 | | PDB_CODE | | | Molecular Weight (g/mol) | 290.27 | | XLogP3-AA | 0.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 2 | | Complexity | 630 | | Topological Polar Surface Area (A^2) | 71.1 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 5 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4206065 | | Predicted Log 10(IC50) values | 5.3106533 | | 2D Structure |  |
Record No:319
|
| DB_ACCESS_NUMBER | PPIM2313 | | CID | 5320815 | | CHEMBL_ID | | | NSC_ID | NSC600586 | | PDB_CODE | | | Molecular Weight (g/mol) | 363.37 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 785 | | Topological Polar Surface Area (A^2) | 61.8 | | 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 | Bcl2/Bak | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4572585 | | Predicted Log 10(IC50) values | 4.754034 | | 2D Structure |  |
Record No:320
|
| DB_ACCESS_NUMBER | PPIM2314 | | CID | 5329370 | | CHEMBL_ID | | | NSC_ID | NSC749043 | | PDB_CODE | | | Molecular Weight (g/mol) | 261.28 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 606 | | Topological Polar Surface Area (A^2) | 53.5 | | 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 | Bcl2/Bak | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | KDR, PDGFRB, FGFR1 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.582931 | | Predicted Log 10(IC50) values | 5.5098988 | | 2D Structure |  |
Record No:321
|
| DB_ACCESS_NUMBER | PPIM2315 | | CID | 53483672 | | CHEMBL_ID | | | NSC_ID | NSC753193 | | PDB_CODE | | | Molecular Weight (g/mol) | 468.94 | | XLogP3-AA | 1.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 5 | | Complexity | 671 | | Topological Polar Surface Area (A^2) | 104 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4659304 | | Predicted Log 10(IC50) values | 4.870106 | | 2D Structure |  |
Record No:322
|
| DB_ACCESS_NUMBER | PPIM2316 | | CID | 5351422 | | CHEMBL_ID | | | NSC_ID | NSC662553 | | PDB_CODE | | | Molecular Weight (g/mol) | 289.33 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 672 | | Topological Polar Surface Area (A^2) | 44.7 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4589974 | | Predicted Log 10(IC50) values | 5.2947187 | | 2D Structure |  |
Record No:323
|
| DB_ACCESS_NUMBER | PPIM2317 | | CID | 5356293 | | CHEMBL_ID | | | NSC_ID | NSC54347 | | PDB_CODE | | | Molecular Weight (g/mol) | 464.66 | | XLogP3-AA | 9.1 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 17 | | Complexity | 669 | | Topological Polar Surface Area (A^2) | 131 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4790946 | | Predicted Log 10(IC50) values | 4.9145585 | | 2D Structure |  |
Record No:324
|
| DB_ACCESS_NUMBER | PPIM2318 | | CID | 5358837 | | CHEMBL_ID | CHEMBL163627 | | NSC_ID | NSC284149 | | PDB_CODE | | | Molecular Weight (g/mol) | 290.27 | | XLogP3-AA | 1.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 636 | | Topological Polar Surface Area (A^2) | 62.6 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 92 | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4731342 | | Predicted Log 10(IC50) values | 5.3235595 | | 2D Structure |  |
Record No:325
|
| DB_ACCESS_NUMBER | PPIM2319 | | CID | 5359173 | | CHEMBL_ID | | | NSC_ID | NSC299950 | | PDB_CODE | | | Molecular Weight (g/mol) | 290.37 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 615 | | Topological Polar Surface Area (A^2) | 63.2 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4312454 | | Predicted Log 10(IC50) values | 5.3676912 | | 2D Structure |  |
Record No:326
|
| DB_ACCESS_NUMBER | PPIM2320 | | CID | 5382486 | | CHEMBL_ID | | | NSC_ID | NSC142056 | | PDB_CODE | | | Molecular Weight (g/mol) | 290.41 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 3 | | Complexity | 603 | | Topological Polar Surface Area (A^2) | 24.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5014659 | | Predicted Log 10(IC50) values | 5.5456138 | | 2D Structure |  |
Record No:327
|
| DB_ACCESS_NUMBER | PPIM2321 | | CID | 5382633 | | CHEMBL_ID | | | NSC_ID | NSC147962 | | PDB_CODE | | | Molecular Weight (g/mol) | 290.36 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 605 | | Topological Polar Surface Area (A^2) | 32.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5431273 | | Predicted Log 10(IC50) values | 5.5135829 | | 2D Structure |  |
Record No:328
|
| DB_ACCESS_NUMBER | PPIM2322 | | CID | 5383303 | | CHEMBL_ID | | | NSC_ID | NSC163442 | | PDB_CODE | | | Molecular Weight (g/mol) | 251.32 | | XLogP3-AA | 1.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 642 | | Topological Polar Surface Area (A^2) | 29.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.7457236 | | Predicted Log 10(IC50) values | 5.547942 | | 2D Structure |  |
Record No:329
|
| DB_ACCESS_NUMBER | PPIM2323 | | CID | 5384980 | | CHEMBL_ID | | | NSC_ID | NSC371823 | | PDB_CODE | | | Molecular Weight (g/mol) | 275.73 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 635 | | Topological Polar Surface Area (A^2) | 44.7 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.8270323 | | Predicted Log 10(IC50) values | 5.4447635 | | 2D Structure |  |
Record No:330
|
| DB_ACCESS_NUMBER | PPIM2324 | | CID | 5386360 | | CHEMBL_ID | | | NSC_ID | NSC608068 | | PDB_CODE | | | Molecular Weight (g/mol) | 279.25 | | XLogP3-AA | 1.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 0 | | Complexity | 653 | | Topological Polar Surface Area (A^2) | 64.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5503979 | | Predicted Log 10(IC50) values | 5.2983171 | | 2D Structure |  |
Record No:331
|
| DB_ACCESS_NUMBER | PPIM2325 | | CID | 5386495 | | CHEMBL_ID | CHEMBL1475213 | | NSC_ID | NSC612232 | | PDB_CODE | | | Molecular Weight (g/mol) | 276.29 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 626 | | Topological Polar Surface Area (A^2) | 58.5 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 50000 | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6936054 | | Predicted Log 10(IC50) values | 5.4026606 | | 2D Structure |  |
Record No:332
|
| DB_ACCESS_NUMBER | PPIM2326 | | CID | 5386713 | | CHEMBL_ID | | | NSC_ID | NSC617309 | | PDB_CODE | | | Molecular Weight (g/mol) | 473.56 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 14 | | Complexity | 668 | | Topological Polar Surface Area (A^2) | 92.3 | | Heavy Atom Count | 34 | | Defined Atom Stereocenter Count | 1 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4331292 | | Predicted Log 10(IC50) values | 4.8539587 | | 2D Structure |  |
Record No:333
|
| DB_ACCESS_NUMBER | PPIM2327 | | CID | 5386774 | | CHEMBL_ID | | | NSC_ID | NSC617618 | | PDB_CODE | | | Molecular Weight (g/mol) | 485.62 | | XLogP3-AA | 5.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 15 | | Complexity | 681 | | Topological Polar Surface Area (A^2) | 83.1 | | Heavy Atom Count | 35 | | Defined Atom Stereocenter Count | 1 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4672904 | | Predicted Log 10(IC50) values | 4.7862886 | | 2D Structure |  |
Record No:334
|
| DB_ACCESS_NUMBER | PPIM2328 | | CID | 5387800 | | CHEMBL_ID | | | NSC_ID | NSC627548 | | PDB_CODE | | | Molecular Weight (g/mol) | 311.33 | | XLogP3-AA | -0.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 3 | | Complexity | 818 | | Topological Polar Surface Area (A^2) | 56.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.420337 | | Predicted Log 10(IC50) values | 4.6992322 | | 2D Structure |  |
Record No:335
|
| DB_ACCESS_NUMBER | PPIM2329 | | CID | 5387864 | | CHEMBL_ID | | | NSC_ID | NSC628694 | | PDB_CODE | | | Molecular Weight (g/mol) | 348.35 | | XLogP3-AA | 1.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 1 | | Complexity | 797 | | Topological Polar Surface Area (A^2) | 75.7 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5294875 | | Predicted Log 10(IC50) values | 4.7469877 | | 2D Structure |  |
Record No:336
|
| DB_ACCESS_NUMBER | PPIM2330 | | CID | 5388311 | | CHEMBL_ID | CHEMBL1976944 | | NSC_ID | NSC634672 | | PDB_CODE | | | Molecular Weight (g/mol) | 479.76 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 5 | | Complexity | 697 | | Topological Polar Surface Area (A^2) | 102 | | Heavy Atom Count | 30 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4000087 | | Predicted Log 10(IC50) values | 4.8168102 | | 2D Structure |  |
Record No:337
|
| DB_ACCESS_NUMBER | PPIM2331 | | CID | 5458646 | | CHEMBL_ID | | | NSC_ID | NSC302308 | | PDB_CODE | | | Molecular Weight (g/mol) | 256.25 | | XLogP3-AA | 2.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 612 | | Topological Polar Surface Area (A^2) | 44.8 | | Heavy Atom Count | 19 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6882908 | | Predicted Log 10(IC50) values | 5.5555795 | | 2D Structure |  |
Record No:338
|
| DB_ACCESS_NUMBER | PPIM2332 | | CID | 54599024 | | CHEMBL_ID | | | NSC_ID | NSC68156 | | PDB_CODE | | | Molecular Weight (g/mol) | 500.60 | | XLogP3-AA | 5.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 14 | | Complexity | 703 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 37 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5043493 | | Predicted Log 10(IC50) values | 4.766803 | | 2D Structure |  |
Record No:339
|
| DB_ACCESS_NUMBER | PPIM2333 | | CID | 54601060 | | CHEMBL_ID | | | NSC_ID | NSC253933 | | PDB_CODE | | | Molecular Weight (g/mol) | 470.60 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 13 | | Complexity | 684 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 33 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4941368 | | Predicted Log 10(IC50) values | 4.8543393 | | 2D Structure |  |
Record No:340
|
| DB_ACCESS_NUMBER | PPIM2334 | | CID | 54601166 | | CHEMBL_ID | | | NSC_ID | NSC28281 | | PDB_CODE | | | Molecular Weight (g/mol) | 384.51 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 823 | | Topological Polar Surface Area (A^2) | 52.6 | | Heavy Atom Count | 28 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4182129 | | Predicted Log 10(IC50) values | 4.6156533 | | 2D Structure |  |
Record No:341
|
| DB_ACCESS_NUMBER | PPIM2335 | | CID | 54601406 | | CHEMBL_ID | | | NSC_ID | NSC77617 | | PDB_CODE | | | Molecular Weight (g/mol) | 476.31 | | XLogP3-AA | 6.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 8 | | Complexity | 653 | | Topological Polar Surface Area (A^2) | 119 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5434662 | | Predicted Log 10(IC50) values | 4.9131165 | | 2D Structure |  |
Record No:342
|
| DB_ACCESS_NUMBER | PPIM2336 | | CID | 54601834 | | CHEMBL_ID | | | NSC_ID | NSC322350 | | PDB_CODE | | | Molecular Weight (g/mol) | 289.33 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 4 | | Complexity | 641 | | Topological Polar Surface Area (A^2) | 53.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5822044 | | Predicted Log 10(IC50) values | 5.3529809 | | 2D Structure |  |
Record No:343
|
| DB_ACCESS_NUMBER | PPIM2337 | | CID | 54602601 | | CHEMBL_ID | | | NSC_ID | NSC125290 | | PDB_CODE | | | Molecular Weight (g/mol) | 458.51 | | XLogP3-AA | 6.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 6 | | Complexity | 666 | | Topological Polar Surface Area (A^2) | 98.1 | | Heavy Atom Count | 34 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4051501 | | Predicted Log 10(IC50) values | 4.8836348 | | 2D Structure |  |
Record No:344
|
| DB_ACCESS_NUMBER | PPIM2338 | | CID | 54603054 | | CHEMBL_ID | | | NSC_ID | NSC106143 | | PDB_CODE | | | Molecular Weight (g/mol) | 488.59 | | XLogP3-AA | 5.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 10 | | Complexity | 676 | | Topological Polar Surface Area (A^2) | 82.9 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.439116 | | Predicted Log 10(IC50) values | 4.7785852 | | 2D Structure |  |
Record No:345
|
| DB_ACCESS_NUMBER | PPIM2339 | | CID | 54603490 | | CHEMBL_ID | | | NSC_ID | NSC698445 | | PDB_CODE | | | Molecular Weight (g/mol) | 461.52 | | XLogP3-AA | 5.8 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 8 | | Complexity | 667 | | Topological Polar Surface Area (A^2) | 95 | | Heavy Atom Count | 35 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.407503 | | Predicted Log 10(IC50) values | 4.868167 | | 2D Structure |  |
Record No:346
|
| DB_ACCESS_NUMBER | PPIM2340 | | CID | 54605308 | | CHEMBL_ID | | | NSC_ID | NSC28283 | | PDB_CODE | | | Molecular Weight (g/mol) | 384.51 | | XLogP3-AA | 3.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 823 | | Topological Polar Surface Area (A^2) | 52.6 | | Heavy Atom Count | 28 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4154761 | | Predicted Log 10(IC50) values | 4.6156295 | | 2D Structure |  |
Record No:347
|
| DB_ACCESS_NUMBER | PPIM2341 | | CID | 54606497 | | CHEMBL_ID | | | NSC_ID | NSC123269 | | PDB_CODE | | | Molecular Weight (g/mol) | 293.36 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 607 | | Topological Polar Surface Area (A^2) | 40.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5011783 | | Predicted Log 10(IC50) values | 5.4685296 | | 2D Structure |  |
Record No:348
|
| DB_ACCESS_NUMBER | PPIM2342 | | CID | 54607184 | | CHEMBL_ID | | | NSC_ID | NSC253935 | | PDB_CODE | | | Molecular Weight (g/mol) | 470.60 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 13 | | Complexity | 684 | | Topological Polar Surface Area (A^2) | 101 | | Heavy Atom Count | 33 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4941368 | | Predicted Log 10(IC50) values | 4.8543393 | | 2D Structure |  |
Record No:349
|
| DB_ACCESS_NUMBER | PPIM2343 | | CID | 54607418 | | CHEMBL_ID | | | NSC_ID | NSC301409 | | PDB_CODE | | | Molecular Weight (g/mol) | 366.42 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 805 | | Topological Polar Surface Area (A^2) | 58.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.589424 | | Predicted Log 10(IC50) values | 4.6930196 | | 2D Structure |  |
Record No:350
|
| DB_ACCESS_NUMBER | PPIM2344 | | CID | 54607778 | | CHEMBL_ID | | | NSC_ID | NSC357743 | | PDB_CODE | | | Molecular Weight (g/mol) | 298.42 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 3 | | Complexity | 622 | | Topological Polar Surface Area (A^2) | 26.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4709341 | | Predicted Log 10(IC50) values | 5.4730631 | | 2D Structure |  |
Record No:351
|
| DB_ACCESS_NUMBER | PPIM2345 | | CID | 54610041 | | CHEMBL_ID | | | NSC_ID | NSC106144 | | PDB_CODE | | | Molecular Weight (g/mol) | 474.59 | | XLogP3-AA | 3.4 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 12 | | Complexity | 681 | | Topological Polar Surface Area (A^2) | 89.4 | | Heavy Atom Count | 35 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 4 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4693841 | | Predicted Log 10(IC50) values | 4.82055 | | 2D Structure |  |
Record No:352
|
| DB_ACCESS_NUMBER | PPIM2346 | | CID | 54610615 | | CHEMBL_ID | | | NSC_ID | NSC209937 | | PDB_CODE | | | Molecular Weight (g/mol) | 453.94 | | XLogP3-AA | 6.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 5 | | Complexity | 666 | | Topological Polar Surface Area (A^2) | 117 | | Heavy Atom Count | 31 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4362482 | | Predicted Log 10(IC50) values | 4.9055459 | | 2D Structure |  |
Record No:353
|
| DB_ACCESS_NUMBER | PPIM2347 | | CID | 54611485 | | CHEMBL_ID | CHEMBL1975700 | | NSC_ID | NSC708416 | | PDB_CODE | | | Molecular Weight (g/mol) | 484.64 | | XLogP3-AA | 6.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 6 | | Complexity | 654 | | Topological Polar Surface Area (A^2) | 114 | | Heavy Atom Count | 34 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5138095 | | Predicted Log 10(IC50) values | 4.8988837 | | 2D Structure |  |
Record No:354
|
| DB_ACCESS_NUMBER | PPIM2348 | | CID | 54612266 | | CHEMBL_ID | | | NSC_ID | NSC119811 | | PDB_CODE | | | Molecular Weight (g/mol) | 290.32 | | XLogP3-AA | 4.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 623 | | Topological Polar Surface Area (A^2) | 58.2 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.533036 | | Predicted Log 10(IC50) values | 5.3734582 | | 2D Structure |  |
Record No:355
|
| DB_ACCESS_NUMBER | PPIM2349 | | CID | 54612299 | | CHEMBL_ID | | | NSC_ID | NSC125287 | | PDB_CODE | | | Molecular Weight (g/mol) | 460.48 | | XLogP3-AA | 6.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 8 | | Complexity | 657 | | Topological Polar Surface Area (A^2) | 110 | | Heavy Atom Count | 34 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5372478 | | Predicted Log 10(IC50) values | 4.9063916 | | 2D Structure |  |
Record No:356
|
| DB_ACCESS_NUMBER | PPIM2350 | | CID | 54612675 | | CHEMBL_ID | | | NSC_ID | NSC736216 | | PDB_CODE | | | Molecular Weight (g/mol) | 480.43 | | XLogP3-AA | 6.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 7 | | Complexity | 680 | | Topological Polar Surface Area (A^2) | 118 | | Heavy Atom Count | 30 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5004064 | | Predicted Log 10(IC50) values | 4.8741681 | | 2D Structure |  |
Record No:357
|
| DB_ACCESS_NUMBER | PPIM2351 | | CID | 54613090 | | CHEMBL_ID | CHEMBL2376880 | | NSC_ID | NSC747509 | | PDB_CODE | | | Molecular Weight (g/mol) | 475.00 | | XLogP3-AA | 6.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 5 | | Complexity | 669 | | Topological Polar Surface Area (A^2) | 107 | | Heavy Atom Count | 33 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 0.061 | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5851639 | | Predicted Log 10(IC50) values | 4.8737744 | | 2D Structure |  |
Record No:358
|
| DB_ACCESS_NUMBER | PPIM2352 | | CID | 54613127 | | CHEMBL_ID | | | NSC_ID | NSC749044 | | PDB_CODE | | | Molecular Weight (g/mol) | 262.27 | | XLogP3-AA | 1.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 624 | | Topological Polar Surface Area (A^2) | 66.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5837806 | | Predicted Log 10(IC50) values | 5.4008628 | | 2D Structure |  |
Record No:359
|
| DB_ACCESS_NUMBER | PPIM2353 | | CID | 54613531 | | CHEMBL_ID | | | NSC_ID | NSC750741 | | PDB_CODE | | | Molecular Weight (g/mol) | 480.53 | | XLogP3-AA | 5.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 9 | | Complexity | 697 | | Topological Polar Surface Area (A^2) | 109 | | Heavy Atom Count | 34 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4736369 | | Predicted Log 10(IC50) values | 4.8370899 | | 2D Structure |  |
Record No:360
|
| DB_ACCESS_NUMBER | PPIM2354 | | CID | 5464877 | | CHEMBL_ID | | | NSC_ID | NSC374350 | | PDB_CODE | | | Molecular Weight (g/mol) | 285.35 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 5 | | Complexity | 619 | | Topological Polar Surface Area (A^2) | 68 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4374827 | | Predicted Log 10(IC50) values | 5.3481578 | | 2D Structure |  |
Record No:361
|
| DB_ACCESS_NUMBER | PPIM2355 | | CID | 5465290 | | CHEMBL_ID | CHEMBL1997938 | | NSC_ID | NSC644720 | | PDB_CODE | | | Molecular Weight (g/mol) | 261.28 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 606 | | Topological Polar Surface Area (A^2) | 53.5 | | 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 | Bcl2/Bak | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.582931 | | Predicted Log 10(IC50) values | 5.5098988 | | 2D Structure |  |
Record No:362
|
| DB_ACCESS_NUMBER | PPIM2356 | | CID | 5465636 | | CHEMBL_ID | CHEMBL1974721 | | NSC_ID | NSC657701 | | PDB_CODE | | | Molecular Weight (g/mol) | 499.75 | | XLogP3-AA | 10.1 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 18 | | Complexity | 664 | | Topological Polar Surface Area (A^2) | 102 | | Heavy Atom Count | 35 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4643696 | | Predicted Log 10(IC50) values | 4.832927 | | 2D Structure |  |
Record No:363
|
| DB_ACCESS_NUMBER | PPIM2357 | | CID | 5465865 | | CHEMBL_ID | | | NSC_ID | NSC666361 | | PDB_CODE | | | Molecular Weight (g/mol) | 354.36 | | XLogP3-AA | 3.6 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 788 | | Topological Polar Surface Area (A^2) | 65 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5544325 | | Predicted Log 10(IC50) values | 4.7602063 | | 2D Structure |  |
Record No:364
|
| DB_ACCESS_NUMBER | PPIM2358 | | CID | 5466144 | | CHEMBL_ID | CHEMBL1966747 | | NSC_ID | NSC679108 | | PDB_CODE | | | Molecular Weight (g/mol) | 320.30 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 1 | | Complexity | 782 | | Topological Polar Surface Area (A^2) | 76.7 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5263895 | | Predicted Log 10(IC50) values | 4.8049544 | | 2D Structure |  |
Record No:365
|
| DB_ACCESS_NUMBER | PPIM2359 | | CID | 5467895 | | CHEMBL_ID | | | NSC_ID | NSC659824 | | PDB_CODE | | | Molecular Weight (g/mol) | 476.69 | | XLogP3-AA | 7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 8 | | Complexity | 672 | | Topological Polar Surface Area (A^2) | 92.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5028856 | | Predicted Log 10(IC50) values | 4.8331987 | | 2D Structure |  |
Record No:366
|
| DB_ACCESS_NUMBER | PPIM2360 | | CID | 5468254 | | CHEMBL_ID | | | NSC_ID | NSC666739 | | PDB_CODE | | | Molecular Weight (g/mol) | 488.75 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 5 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 21 | | Complexity | 652 | | Topological Polar Surface Area (A^2) | 113 | | Heavy Atom Count | 35 | | Defined Atom Stereocenter Count | 2 | | Defined Bond Stereocenter Count | 6 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4180573 | | Predicted Log 10(IC50) values | 4.8904099 | | 2D Structure |  |
Record No:367
|
| DB_ACCESS_NUMBER | PPIM2361 | | CID | 5468823 | | CHEMBL_ID | | | NSC_ID | NSC676867 | | PDB_CODE | | | Molecular Weight (g/mol) | 272.34 | | XLogP3-AA | 1.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 597 | | Topological Polar Surface Area (A^2) | 38.7 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 1 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5766286 | | Predicted Log 10(IC50) values | 5.5667555 | | 2D Structure |  |
Record No:368
|
| DB_ACCESS_NUMBER | PPIM2362 | | CID | 5468882 | | CHEMBL_ID | CHEMBL1987986 | | NSC_ID | NSC678879 | | PDB_CODE | | | Molecular Weight (g/mol) | 277.32 | | XLogP3-AA | 1.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 614 | | Topological Polar Surface Area (A^2) | 67.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4803294 | | Predicted Log 10(IC50) values | 5.3792084 | | 2D Structure |  |
Record No:369
|
| DB_ACCESS_NUMBER | PPIM2363 | | CID | 5469821 | | CHEMBL_ID | | | NSC_ID | NSC693050 | | PDB_CODE | | | Molecular Weight (g/mol) | 292.34 | | XLogP3-AA | 1.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 608 | | Topological Polar Surface Area (A^2) | 56.7 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4091714 | | Predicted Log 10(IC50) values | 5.4000623 | | 2D Structure |  |
Record No:370
|
| DB_ACCESS_NUMBER | PPIM2364 | | CID | 5469855 | | CHEMBL_ID | CHEMBL1991312 | | NSC_ID | NSC693547 | | PDB_CODE | | | Molecular Weight (g/mol) | 277.32 | | XLogP3-AA | 1.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 614 | | Topological Polar Surface Area (A^2) | 67.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4803294 | | Predicted Log 10(IC50) values | 5.3792084 | | 2D Structure |  |
Record No:371
|
| DB_ACCESS_NUMBER | PPIM2365 | | CID | 5470175 | | CHEMBL_ID | CHEMBL2000754 | | NSC_ID | NSC698265 | | PDB_CODE | | | Molecular Weight (g/mol) | 744.39 | | XLogP3-AA | 6.6 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 11 | | Rotatable Bond Count | 13 | | Complexity | 1350 | | Topological Polar Surface Area (A^2) | 152 | | Heavy Atom Count | 48 | | Defined Atom Stereocenter Count | 5 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4014192 | | Predicted Log 10(IC50) values | 3.9413759 | | 2D Structure |  |
Record No:372
|
| DB_ACCESS_NUMBER | PPIM2366 | | CID | 5470485 | | CHEMBL_ID | CHEMBL1977542 | | NSC_ID | NSC702131 | | PDB_CODE | | | Molecular Weight (g/mol) | 467.58 | | XLogP3-AA | 5.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 9 | | Complexity | 665 | | Topological Polar Surface Area (A^2) | 99.3 | | Heavy Atom Count | 34 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4928298 | | Predicted Log 10(IC50) values | 4.8697209 | | 2D Structure |  |
Record No:373
|
| DB_ACCESS_NUMBER | PPIM2367 | | CID | 5470926 | | CHEMBL_ID | CHEMBL1964401 | | NSC_ID | NSC706391 | | PDB_CODE | | | Molecular Weight (g/mol) | 479.58 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 9 | | Complexity | 698 | | Topological Polar Surface Area (A^2) | 91.3 | | Heavy Atom Count | 36 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4770621 | | Predicted Log 10(IC50) values | 4.7778988 | | 2D Structure |  |
Record No:374
|
| DB_ACCESS_NUMBER | PPIM2368 | | CID | 5471435 | | CHEMBL_ID | | | NSC_ID | NSC711133 | | PDB_CODE | | | Molecular Weight (g/mol) | 355.40 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 786 | | Topological Polar Surface Area (A^2) | 72.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4371435 | | Predicted Log 10(IC50) values | 4.7674122 | | 2D Structure |  |
Record No:375
|
| DB_ACCESS_NUMBER | PPIM2369 | | CID | 5471461 | | CHEMBL_ID | CHEMBL1996929 | | NSC_ID | NSC711513 | | PDB_CODE | | | Molecular Weight (g/mol) | 288.29 | | XLogP3-AA | 1.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 3 | | Complexity | 622 | | Topological Polar Surface Area (A^2) | 57.3 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 3 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5948573 | | Predicted Log 10(IC50) values | 5.3922292 | | 2D Structure |  |
Record No:376
|
| DB_ACCESS_NUMBER | PPIM2370 | | CID | 5472118 | | CHEMBL_ID | CHEMBL1988016 | | NSC_ID | NSC716335 | | PDB_CODE | | | Molecular Weight (g/mol) | 295.72 | | XLogP3-AA | 3.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 616 | | Topological Polar Surface Area (A^2) | 46 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4880915 | | Predicted Log 10(IC50) values | 5.4231553 | | 2D Structure |  |
Record No:377
|
| DB_ACCESS_NUMBER | PPIM2371 | | CID | 5472433 | | CHEMBL_ID | CHEMBL2006429 | | NSC_ID | NSC718705 | | PDB_CODE | | | Molecular Weight (g/mol) | 335.79 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 789 | | Topological Polar Surface Area (A^2) | 78.9 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5203899 | | Predicted Log 10(IC50) values | 4.7740158 | | 2D Structure |  |
Record No:378
|
| DB_ACCESS_NUMBER | PPIM2372 | | CID | 5472772 | | CHEMBL_ID | CHEMBL1975740 | | NSC_ID | NSC721527 | | PDB_CODE | | | Molecular Weight (g/mol) | 461.96 | | XLogP3-AA | 5.8 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 6 | | Complexity | 652 | | Topological Polar Surface Area (A^2) | 128 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5114514 | | Predicted Log 10(IC50) values | 4.9185939 | | 2D Structure |  |
Record No:379
|
| DB_ACCESS_NUMBER | PPIM2373 | | CID | 5472775 | | CHEMBL_ID | | | NSC_ID | NSC721530 | | PDB_CODE | | | Molecular Weight (g/mol) | 495.42 | | XLogP3-AA | 7.2 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 6 | | Complexity | 683 | | Topological Polar Surface Area (A^2) | 115 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4778654 | | Predicted Log 10(IC50) values | 4.8412304 | | 2D Structure |  |
Record No:380
|
| DB_ACCESS_NUMBER | PPIM2374 | | CID | 5472776 | | CHEMBL_ID | CHEMBL1992181 | | NSC_ID | NSC721531 | | PDB_CODE | | | Molecular Weight (g/mol) | 481.39 | | XLogP3-AA | 6.8 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 6 | | Complexity | 646 | | Topological Polar Surface Area (A^2) | 115 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.444005 | | Predicted Log 10(IC50) values | 4.8997985 | | 2D Structure |  |
Record No:381
|
| DB_ACCESS_NUMBER | PPIM2375 | | CID | 5472779 | | CHEMBL_ID | | | NSC_ID | NSC721534 | | PDB_CODE | | | Molecular Weight (g/mol) | 456.56 | | XLogP3-AA | 5.5 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 8 | | Complexity | 642 | | Topological Polar Surface Area (A^2) | 124 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.489772 | | Predicted Log 10(IC50) values | 4.9219417 | | 2D Structure |  |
Record No:382
|
| DB_ACCESS_NUMBER | PPIM2376 | | CID | 5472781 | | CHEMBL_ID | CHEMBL2003726 | | NSC_ID | NSC721536 | | PDB_CODE | | | Molecular Weight (g/mol) | 495.42 | | XLogP3-AA | 6.8 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 7 | | Complexity | 671 | | Topological Polar Surface Area (A^2) | 115 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.477233 | | Predicted Log 10(IC50) values | 4.859059 | | 2D Structure |  |
Record No:383
|
| DB_ACCESS_NUMBER | PPIM2377 | | CID | 5472785 | | CHEMBL_ID | | | NSC_ID | NSC721540 | | PDB_CODE | | | Molecular Weight (g/mol) | 461.96 | | XLogP3-AA | 5.8 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 6 | | Complexity | 652 | | Topological Polar Surface Area (A^2) | 128 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5114514 | | Predicted Log 10(IC50) values | 4.9185939 | | 2D Structure |  |
Record No:384
|
| DB_ACCESS_NUMBER | PPIM2378 | | CID | 5472791 | | CHEMBL_ID | | | NSC_ID | NSC721546 | | PDB_CODE | | | Molecular Weight (g/mol) | 456.56 | | XLogP3-AA | 5.9 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 7 | | Complexity | 655 | | Topological Polar Surface Area (A^2) | 124 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.505909 | | Predicted Log 10(IC50) values | 4.9145003 | | 2D Structure |  |
Record No:385
|
| DB_ACCESS_NUMBER | PPIM2379 | | CID | 5472792 | | CHEMBL_ID | | | NSC_ID | NSC721547 | | PDB_CODE | | | Molecular Weight (g/mol) | 460.98 | | XLogP3-AA | 6.6 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 6 | | Complexity | 642 | | Topological Polar Surface Area (A^2) | 115 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4675068 | | Predicted Log 10(IC50) values | 4.9145468 | | 2D Structure |  |
Record No:386
|
| DB_ACCESS_NUMBER | PPIM2380 | | CID | 5472794 | | CHEMBL_ID | | | NSC_ID | NSC721549 | | PDB_CODE | | | Molecular Weight (g/mol) | 456.56 | | XLogP3-AA | 5.9 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 7 | | Complexity | 655 | | Topological Polar Surface Area (A^2) | 124 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.505909 | | Predicted Log 10(IC50) values | 4.9145003 | | 2D Structure |  |
Record No:387
|
| DB_ACCESS_NUMBER | PPIM2381 | | CID | 5472796 | | CHEMBL_ID | | | NSC_ID | NSC721551 | | PDB_CODE | | | Molecular Weight (g/mol) | 476.97 | | XLogP3-AA | 6.2 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 7 | | Complexity | 661 | | Topological Polar Surface Area (A^2) | 124 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5421481 | | Predicted Log 10(IC50) values | 4.9029716 | | 2D Structure |  |
Record No:388
|
| DB_ACCESS_NUMBER | PPIM2382 | | CID | 5472799 | | CHEMBL_ID | CHEMBL2005804 | | NSC_ID | NSC721554 | | PDB_CODE | | | Molecular Weight (g/mol) | 460.98 | | XLogP3-AA | 6.6 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 6 | | Complexity | 642 | | Topological Polar Surface Area (A^2) | 115 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4675068 | | Predicted Log 10(IC50) values | 4.9145468 | | 2D Structure |  |
Record No:389
|
| DB_ACCESS_NUMBER | PPIM2383 | | CID | 5472821 | | CHEMBL_ID | CHEMBL1991051 | | NSC_ID | NSC721858 | | PDB_CODE | | | Molecular Weight (g/mol) | 476.97 | | XLogP3-AA | 6.2 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 7 | | Complexity | 661 | | Topological Polar Surface Area (A^2) | 124 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5421481 | | Predicted Log 10(IC50) values | 4.9029716 | | 2D Structure |  |
Record No:390
|
| DB_ACCESS_NUMBER | PPIM2384 | | CID | 5476765 | | CHEMBL_ID | | | NSC_ID | NSC353456 | | PDB_CODE | | | Molecular Weight (g/mol) | 328.40 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 0 | | Complexity | 763 | | Topological Polar Surface Area (A^2) | 63.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4759392 | | Predicted Log 10(IC50) values | 4.8683114 | | 2D Structure |  |
Record No:391
|
| DB_ACCESS_NUMBER | PPIM2385 | | CID | 5494449 | | CHEMBL_ID | | | NSC_ID | NSC745967 | | PDB_CODE | | | Molecular Weight (g/mol) | 464.59 | | XLogP3-AA | 3.4 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 7 | | Complexity | 650 | | Topological Polar Surface Area (A^2) | 127 | | 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 | Bcl2/Bak | | Clinical Application | Yes (FDA approved clinically passed drug) | | Off Targets | AURKA, AAK1, ABCB6, Abhd17b, Abhd4, ABL1, ABHD5 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4931743 | | Predicted Log 10(IC50) values | 4.9239342 | | 2D Structure |  |
Record No:392
|
| DB_ACCESS_NUMBER | PPIM2386 | | CID | 56833684 | | CHEMBL_ID | | | NSC_ID | NSC752883 | | PDB_CODE | | | Molecular Weight (g/mol) | 482.96 | | XLogP3-AA | 2.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 6 | | Complexity | 686 | | Topological Polar Surface Area (A^2) | 92.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4636773 | | Predicted Log 10(IC50) values | 4.8030312 | | 2D Structure |  |
Record No:393
|
| DB_ACCESS_NUMBER | PPIM2387 | | CID | 5702095 | | CHEMBL_ID | | | NSC_ID | NSC757249 | | PDB_CODE | | | Molecular Weight (g/mol) | 298.42 | | XLogP3-AA | 2.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 1 | | Complexity | 606 | | Topological Polar Surface Area (A^2) | 37.3 | | Heavy Atom Count | 22 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4110781 | | Predicted Log 10(IC50) values | 5.4660825 | | 2D Structure |  |
Record No:394
|
| DB_ACCESS_NUMBER | PPIM2388 | | CID | 5702275 | | CHEMBL_ID | | | NSC_ID | NSC758636 | | PDB_CODE | | | Molecular Weight (g/mol) | 374.90 | | XLogP3-AA | 3.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 1 | | Complexity | 797 | | Topological Polar Surface Area (A^2) | 54.4 | | Heavy Atom Count | 26 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4528202 | | Predicted Log 10(IC50) values | 4.699788 | | 2D Structure |  |
Record No:395
|
| DB_ACCESS_NUMBER | PPIM2389 | | CID | 5715120 | | CHEMBL_ID | | | NSC_ID | NSC142421 | | PDB_CODE | | | Molecular Weight (g/mol) | 334.15 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 796 | | Topological Polar Surface Area (A^2) | 70.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6469081 | | Predicted Log 10(IC50) values | 4.7592962 | | 2D Structure |  |
Record No:396
|
| DB_ACCESS_NUMBER | PPIM2390 | | CID | 5835541 | | CHEMBL_ID | | | NSC_ID | NSC314614 | | PDB_CODE | | | Molecular Weight (g/mol) | 345.40 | | XLogP3-AA | 6.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 2 | | Complexity | 771 | | Topological Polar Surface Area (A^2) | 36.8 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4496558 | | Predicted Log 10(IC50) values | 4.8168314 | | 2D Structure |  |
Record No:397
|
| DB_ACCESS_NUMBER | PPIM2391 | | CID | 5837709 | | CHEMBL_ID | | | NSC_ID | NSC327357 | | PDB_CODE | | | Molecular Weight (g/mol) | 510.79 | | XLogP3-AA | 11.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 18 | | Complexity | 690 | | Topological Polar Surface Area (A^2) | 95.5 | | Heavy Atom Count | 35 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4378154 | | Predicted Log 10(IC50) values | 4.753563 | | 2D Structure |  |
Record No:398
|
| DB_ACCESS_NUMBER | PPIM2392 | | CID | 5867049 | | CHEMBL_ID | | | NSC_ID | NSC314616 | | PDB_CODE | | | Molecular Weight (g/mol) | 395.51 | | XLogP3-AA | 4.6 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 5 | | Complexity | 817 | | Topological Polar Surface Area (A^2) | 44.9 | | Heavy Atom Count | 30 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4113795 | | Predicted Log 10(IC50) values | 4.5847245 | | 2D Structure |  |
Record No:399
|
| DB_ACCESS_NUMBER | PPIM2393 | | CID | 5886902 | | CHEMBL_ID | | | NSC_ID | NSC300849 | | PDB_CODE | | | Molecular Weight (g/mol) | 365.43 | | XLogP3-AA | 4.6 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 3 | | Complexity | 803 | | Topological Polar Surface Area (A^2) | 46.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6138132 | | Predicted Log 10(IC50) values | 4.6810291 | | 2D Structure |  |
Record No:400
|
| DB_ACCESS_NUMBER | PPIM2394 | | CID | 5896574 | | CHEMBL_ID | CHEMBL1972326 | | NSC_ID | NSC674023 | | PDB_CODE | | | Molecular Weight (g/mol) | 456.36 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 6 | | Complexity | 660 | | Topological Polar Surface Area (A^2) | 130 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4036698 | | Predicted Log 10(IC50) values | 4.9263816 | | 2D Structure |  |
Record No:401
|
| DB_ACCESS_NUMBER | PPIM2395 | | CID | 5899501 | | CHEMBL_ID | CHEMBL1993849 | | NSC_ID | NSC678881 | | PDB_CODE | | | Molecular Weight (g/mol) | 365.43 | | XLogP3-AA | 4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 3 | | Complexity | 798 | | Topological Polar Surface Area (A^2) | 53.8 | | Heavy Atom Count | 28 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5911221 | | Predicted Log 10(IC50) values | 4.7042898 | | 2D Structure |  |
Record No:402
|
| DB_ACCESS_NUMBER | PPIM2396 | | CID | 5912031 | | CHEMBL_ID | CHEMBL1576327 | | NSC_ID | NSC744140 | | PDB_CODE | | | Molecular Weight (g/mol) | 331.37 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 761 | | Topological Polar Surface Area (A^2) | 66.4 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 60150 | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4187923 | | Predicted Log 10(IC50) values | 4.8668642 | | 2D Structure |  |
Record No:403
|
| DB_ACCESS_NUMBER | PPIM2397 | | CID | 5945673 | | CHEMBL_ID | | | NSC_ID | NSC150372 | | PDB_CODE | | | Molecular Weight (g/mol) | 479.35 | | XLogP3-AA | 5.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 4 | | Complexity | 695 | | Topological Polar Surface Area (A^2) | 97.1 | | Heavy Atom Count | 30 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4140721 | | Predicted Log 10(IC50) values | 4.808325 | | 2D Structure |  |
Record No:404
|
| DB_ACCESS_NUMBER | PPIM2398 | | CID | 59563883 | | CHEMBL_ID | | | NSC_ID | NSC751775 | | PDB_CODE | | | Molecular Weight (g/mol) | 359.43 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 1 | | Complexity | 797 | | Topological Polar Surface Area (A^2) | 60 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5993717 | | Predicted Log 10(IC50) values | 4.7261571 | | 2D Structure |  |
Record No:405
|
| DB_ACCESS_NUMBER | PPIM2399 | | CID | 60147576 | | CHEMBL_ID | | | NSC_ID | NSC751665 | | PDB_CODE | | | Molecular Weight (g/mol) | 477.02 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 6 | | Complexity | 647 | | Topological Polar Surface Area (A^2) | 122 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4533005 | | Predicted Log 10(IC50) values | 4.9151187 | | 2D Structure |  |
Record No:406
|
| DB_ACCESS_NUMBER | PPIM2400 | | CID | 60147605 | | CHEMBL_ID | | | NSC_ID | NSC751774 | | PDB_CODE | | | Molecular Weight (g/mol) | 464.58 | | XLogP3-AA | 4.6 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 7 | | Complexity | 645 | | Topological Polar Surface Area (A^2) | 116 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4903623 | | Predicted Log 10(IC50) values | 4.9190757 | | 2D Structure |  |
Record No:407
|
| DB_ACCESS_NUMBER | PPIM2401 | | CID | 60147630 | | CHEMBL_ID | | | NSC_ID | NSC751886 | | PDB_CODE | | | Molecular Weight (g/mol) | 471.61 | | XLogP3-AA | 6.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 6 | | Complexity | 664 | | Topological Polar Surface Area (A^2) | 92.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4462352 | | Predicted Log 10(IC50) values | 4.8556336 | | 2D Structure |  |
Record No:408
|
| DB_ACCESS_NUMBER | PPIM2402 | | CID | 60147634 | | CHEMBL_ID | | | NSC_ID | NSC751899 | | PDB_CODE | | | Molecular Weight (g/mol) | 503.57 | | XLogP3-AA | 5.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 8 | | Complexity | 684 | | Topological Polar Surface Area (A^2) | 105 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4525005 | | Predicted Log 10(IC50) values | 4.8103729 | | 2D Structure |  |
Record No:409
|
| DB_ACCESS_NUMBER | PPIM2403 | | CID | 60147787 | | CHEMBL_ID | | | NSC_ID | NSC752430 | | PDB_CODE | | | Molecular Weight (g/mol) | 503.57 | | XLogP3-AA | 5.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 8 | | Complexity | 698 | | Topological Polar Surface Area (A^2) | 105 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4335167 | | Predicted Log 10(IC50) values | 4.7852102 | | 2D Structure |  |
Record No:410
|
| DB_ACCESS_NUMBER | PPIM2404 | | CID | 60147788 | | CHEMBL_ID | | | NSC_ID | NSC752431 | | PDB_CODE | | | Molecular Weight (g/mol) | 491.53 | | XLogP3-AA | 5.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 7 | | Complexity | 687 | | Topological Polar Surface Area (A^2) | 95.9 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5322676 | | Predicted Log 10(IC50) values | 4.8003477 | | 2D Structure |  |
Record No:411
|
| DB_ACCESS_NUMBER | PPIM2405 | | CID | 60147790 | | CHEMBL_ID | | | NSC_ID | NSC752433 | | PDB_CODE | | | Molecular Weight (g/mol) | 479.50 | | XLogP3-AA | 5.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 6 | | Complexity | 673 | | Topological Polar Surface Area (A^2) | 86.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.429369 | | Predicted Log 10(IC50) values | 4.8232024 | | 2D Structure |  |
Record No:412
|
| DB_ACCESS_NUMBER | PPIM2406 | | CID | 60147797 | | CHEMBL_ID | | | NSC_ID | NSC752442 | | PDB_CODE | | | Molecular Weight (g/mol) | 488.56 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 7 | | Complexity | 684 | | Topological Polar Surface Area (A^2) | 122 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4651203 | | Predicted Log 10(IC50) values | 4.8723326 | | 2D Structure |  |
Record No:413
|
| DB_ACCESS_NUMBER | PPIM2407 | | CID | 60147873 | | CHEMBL_ID | | | NSC_ID | NSC752760 | | PDB_CODE | | | Molecular Weight (g/mol) | 464.98 | | XLogP3-AA | 6.3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 5 | | Complexity | 643 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.505637 | | Predicted Log 10(IC50) values | 4.9235487 | | 2D Structure |  |
Record No:414
|
| DB_ACCESS_NUMBER | PPIM2408 | | CID | 60147895 | | CHEMBL_ID | | | NSC_ID | NSC752875 | | PDB_CODE | | | Molecular Weight (g/mol) | 482.96 | | XLogP3-AA | 2.1 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 6 | | Complexity | 686 | | Topological Polar Surface Area (A^2) | 92.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4636773 | | Predicted Log 10(IC50) values | 4.8030312 | | 2D Structure |  |
Record No:415
|
| DB_ACCESS_NUMBER | PPIM2409 | | CID | 60147931 | | CHEMBL_ID | | | NSC_ID | NSC753198 | | PDB_CODE | | | Molecular Weight (g/mol) | 473.53 | | XLogP3-AA | 4.6 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 7 | | Complexity | 661 | | Topological Polar Surface Area (A^2) | 125 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5335311 | | Predicted Log 10(IC50) values | 4.909082 | | 2D Structure |  |
Record No:416
|
| DB_ACCESS_NUMBER | PPIM2410 | | CID | 60147934 | | CHEMBL_ID | | | NSC_ID | NSC753201 | | PDB_CODE | | | Molecular Weight (g/mol) | 458.51 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 7 | | Complexity | 644 | | Topological Polar Surface Area (A^2) | 112 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4329188 | | Predicted Log 10(IC50) values | 4.9190146 | | 2D Structure |  |
Record No:417
|
| DB_ACCESS_NUMBER | PPIM2411 | | CID | 60147936 | | CHEMBL_ID | | | NSC_ID | NSC753203 | | PDB_CODE | | | Molecular Weight (g/mol) | 488.54 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 8 | | Complexity | 691 | | Topological Polar Surface Area (A^2) | 122 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4299623 | | Predicted Log 10(IC50) values | 4.8624841 | | 2D Structure |  |
Record No:418
|
| DB_ACCESS_NUMBER | PPIM2412 | | CID | 60147986 | | CHEMBL_ID | | | NSC_ID | NSC753383 | | PDB_CODE | | | Molecular Weight (g/mol) | 495.39 | | XLogP3-AA | 5.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 4 | | Complexity | 677 | | Topological Polar Surface Area (A^2) | 101 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4487517 | | Predicted Log 10(IC50) values | 4.8215892 | | 2D Structure |  |
Record No:419
|
| DB_ACCESS_NUMBER | PPIM2413 | | CID | 60148006 | | CHEMBL_ID | | | NSC_ID | NSC753456 | | PDB_CODE | | | Molecular Weight (g/mol) | 503.57 | | XLogP3-AA | 5.3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 8 | | Complexity | 686 | | Topological Polar Surface Area (A^2) | 105 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4533612 | | Predicted Log 10(IC50) values | 4.8068588 | | 2D Structure |  |
Record No:420
|
| DB_ACCESS_NUMBER | PPIM2414 | | CID | 60148352 | | CHEMBL_ID | | | NSC_ID | NSC754174 | | PDB_CODE | | | Molecular Weight (g/mol) | 488.65 | | XLogP3-AA | 6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 11 | | Complexity | 683 | | Topological Polar Surface Area (A^2) | 95.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5743075 | | Predicted Log 10(IC50) values | 4.808496 | | 2D Structure |  |
Record No:421
|
| DB_ACCESS_NUMBER | PPIM2415 | | CID | 60198 | | CHEMBL_ID | | | NSC_ID | NSC713563 | | PDB_CODE | | | Molecular Weight (g/mol) | 296.41 | | XLogP3-AA | 3.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 653 | | Topological Polar Surface Area (A^2) | 34.1 | | Heavy Atom Count | 22 | | 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 | Bcl2/Bak | | Clinical Application | Yes (FDA approved clinically passed drug) | | Off Targets | F | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5077995 | | Predicted Log 10(IC50) values | 5.3795346 | | 2D Structure |  |
Record No:422
|
| DB_ACCESS_NUMBER | PPIM2416 | | CID | 6057425 | | CHEMBL_ID | | | NSC_ID | NSC121862 | | PDB_CODE | | | Molecular Weight (g/mol) | 496.56 | | XLogP3-AA | 3.3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 12 | | Complexity | 702 | | Topological Polar Surface Area (A^2) | 96.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4771252 | | Predicted Log 10(IC50) values | 4.766336 | | 2D Structure |  |
Record No:423
|
| DB_ACCESS_NUMBER | PPIM2417 | | CID | 60807 | | CHEMBL_ID | | | NSC_ID | NSC670880 | | PDB_CODE | | | Molecular Weight (g/mol) | 499.64 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 20 | | Complexity | 668 | | Topological Polar Surface Area (A^2) | 108 | | Heavy Atom Count | 35 | | 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 | Bcl2/Bak | | Clinical Application | Yes (FDA approved clinically passed drug) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4345492 | | Predicted Log 10(IC50) values | 4.8610017 | | 2D Structure |  |
Record No:424
|
| DB_ACCESS_NUMBER | PPIM2418 | | CID | 6103807 | | CHEMBL_ID | | | NSC_ID | NSC294500 | | PDB_CODE | | | Molecular Weight (g/mol) | 492.52 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 12 | | Complexity | 718 | | Topological Polar Surface Area (A^2) | 89.5 | | Heavy Atom Count | 36 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4091636 | | Predicted Log 10(IC50) values | 4.719873 | | 2D Structure |  |
Record No:425
|
| DB_ACCESS_NUMBER | PPIM2419 | | CID | 6111057 | | CHEMBL_ID | | | NSC_ID | NSC254960 | | PDB_CODE | | | Molecular Weight (g/mol) | 452.68 | | XLogP3-AA | 4.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 6 | | Complexity | 644 | | Topological Polar Surface Area (A^2) | 122 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4149483 | | Predicted Log 10(IC50) values | 4.9348511 | | 2D Structure |  |
Record No:426
|
| DB_ACCESS_NUMBER | PPIM2420 | | CID | 6140848 | | CHEMBL_ID | | | NSC_ID | NSC369728 | | PDB_CODE | | | Molecular Weight (g/mol) | 279.38 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 3 | | Complexity | 676 | | Topological Polar Surface Area (A^2) | 20.3 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 4 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4533022 | | Predicted Log 10(IC50) values | 5.3849888 | | 2D Structure |  |
Record No:427
|
| DB_ACCESS_NUMBER | PPIM2421 | | CID | 6152359 | | CHEMBL_ID | | | NSC_ID | NSC272356 | | PDB_CODE | | | Molecular Weight (g/mol) | 484.54 | | XLogP3-AA | 3 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 12 | | Complexity | 689 | | Topological Polar Surface Area (A^2) | 95.9 | | Heavy Atom Count | 35 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5387421 | | Predicted Log 10(IC50) values | 4.8128723 | | 2D Structure |  |
Record No:428
|
| DB_ACCESS_NUMBER | PPIM2422 | | CID | 6327978 | | CHEMBL_ID | | | NSC_ID | NSC270762 | | PDB_CODE | | | Molecular Weight (g/mol) | 500.68 | | XLogP3-AA | 8 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 19 | | Complexity | 683 | | Topological Polar Surface Area (A^2) | 93.1 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4981218 | | Predicted Log 10(IC50) values | 4.7808453 | | 2D Structure |  |
Record No:429
|
| DB_ACCESS_NUMBER | PPIM2423 | | CID | 6330209 | | CHEMBL_ID | | | NSC_ID | NSC112153 | | PDB_CODE | | | Molecular Weight (g/mol) | 290.27 | | XLogP3-AA | 0.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 2 | | Complexity | 630 | | Topological Polar Surface Area (A^2) | 71.1 | | Heavy Atom Count | 21 | | Defined Atom Stereocenter Count | 5 | | Defined Bond Stereocenter Count | 1 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4206065 | | Predicted Log 10(IC50) values | 5.3106533 | | 2D Structure |  |
Record No:430
|
| DB_ACCESS_NUMBER | PPIM2424 | | CID | 6366966 | | CHEMBL_ID | | | NSC_ID | NSC268816 | | PDB_CODE | | | Molecular Weight (g/mol) | 290.36 | | XLogP3-AA | 3.4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 605 | | Topological Polar Surface Area (A^2) | 32.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.539402 | | Predicted Log 10(IC50) values | 5.5141877 | | 2D Structure |  |
Record No:431
|
| DB_ACCESS_NUMBER | PPIM2425 | | CID | 6372930 | | CHEMBL_ID | | | NSC_ID | NSC74104 | | PDB_CODE | | | Molecular Weight (g/mol) | 496.55 | | XLogP3-AA | 5.6 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 16 | | Complexity | 706 | | Topological Polar Surface Area (A^2) | 105 | | Heavy Atom Count | 36 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5052487 | | Predicted Log 10(IC50) values | 4.786691 | | 2D Structure |  |
Record No:432
|
| DB_ACCESS_NUMBER | PPIM2426 | | CID | 6377864 | | CHEMBL_ID | | | NSC_ID | NSC48981 | | PDB_CODE | | | Molecular Weight (g/mol) | 354.44 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 786 | | Topological Polar Surface Area (A^2) | 60.4 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5660065 | | Predicted Log 10(IC50) values | 4.7656875 | | 2D Structure |  |
Record No:433
|
| DB_ACCESS_NUMBER | PPIM2427 | | CID | 6381032 | | CHEMBL_ID | | | NSC_ID | NSC603592 | | PDB_CODE | | | Molecular Weight (g/mol) | 503.61 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 19 | | Complexity | 685 | | Topological Polar Surface Area (A^2) | 91.4 | | Heavy Atom Count | 34 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4298693 | | Predicted Log 10(IC50) values | 4.7712777 | | 2D Structure |  |
Record No:434
|
| DB_ACCESS_NUMBER | PPIM2428 | | CID | 6399642 | | CHEMBL_ID | | | NSC_ID | NSC119957 | | PDB_CODE | | | Molecular Weight (g/mol) | 490.64 | | XLogP3-AA | 9.5 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 20 | | Complexity | 652 | | Topological Polar Surface Area (A^2) | 125 | | Heavy Atom Count | 35 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4130672 | | Predicted Log 10(IC50) values | 4.9132037 | | 2D Structure |  |
Record No:435
|
| DB_ACCESS_NUMBER | PPIM2429 | | CID | 6519134 | | CHEMBL_ID | | | NSC_ID | NSC678882 | | PDB_CODE | | | Molecular Weight (g/mol) | 381.43 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 4 | | Complexity | 817 | | Topological Polar Surface Area (A^2) | 63 | | Heavy Atom Count | 29 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4328381 | | Predicted Log 10(IC50) values | 4.6496492 | | 2D Structure |  |
Record No:436
|
| DB_ACCESS_NUMBER | PPIM2430 | | CID | 6710729 | | CHEMBL_ID | | | NSC_ID | NSC757097 | | PDB_CODE | | | Molecular Weight (g/mol) | 384.51 | | XLogP3-AA | 3.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 821 | | Topological Polar Surface Area (A^2) | 60.4 | | Heavy Atom Count | 28 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4099079 | | Predicted Log 10(IC50) values | 4.6341171 | | 2D Structure |  |
Record No:437
|
| DB_ACCESS_NUMBER | PPIM2431 | | CID | 6711234 | | CHEMBL_ID | CHEMBL1971505 | | NSC_ID | NSC337743 | | PDB_CODE | | | Molecular Weight (g/mol) | 334.15 | | XLogP3-AA | 4.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 3 | | Complexity | 796 | | Topological Polar Surface Area (A^2) | 70.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6469081 | | Predicted Log 10(IC50) values | 4.7592962 | | 2D Structure |  |
Record No:438
|
| DB_ACCESS_NUMBER | PPIM2432 | | CID | 6711455 | | CHEMBL_ID | CHEMBL1986552 | | NSC_ID | NSC627649 | | PDB_CODE | | | Molecular Weight (g/mol) | 489.52 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 10 | | Complexity | 687 | | Topological Polar Surface Area (A^2) | 85.3 | | Heavy Atom Count | 36 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4824819 | | Predicted Log 10(IC50) values | 4.7746361 | | 2D Structure |  |
Record No:439
|
| DB_ACCESS_NUMBER | PPIM2433 | | CID | 6712058 | | CHEMBL_ID | CHEMBL1991773 | | NSC_ID | NSC654298 | | PDB_CODE | | | Molecular Weight (g/mol) | 453.54 | | XLogP3-AA | 0.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 7 | | Complexity | 646 | | Topological Polar Surface Area (A^2) | 123 | | Heavy Atom Count | 33 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4013134 | | Predicted Log 10(IC50) values | 4.9294398 | | 2D Structure |  |
Record No:440
|
| DB_ACCESS_NUMBER | PPIM2434 | | CID | 6712059 | | CHEMBL_ID | CHEMBL1981956 | | NSC_ID | NSC654299 | | PDB_CODE | | | Molecular Weight (g/mol) | 453.54 | | XLogP3-AA | 0.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 7 | | Complexity | 646 | | Topological Polar Surface Area (A^2) | 123 | | Heavy Atom Count | 33 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4013134 | | Predicted Log 10(IC50) values | 4.9294398 | | 2D Structure |  |
Record No:441
|
| DB_ACCESS_NUMBER | PPIM2435 | | CID | 6712916 | | CHEMBL_ID | CHEMBL2001649 | | NSC_ID | NSC720191 | | PDB_CODE | | | Molecular Weight (g/mol) | 267.29 | | XLogP3-AA | 2.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 644 | | Topological Polar Surface Area (A^2) | 72.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5225245 | | Predicted Log 10(IC50) values | 5.3081974 | | 2D Structure |  |
Record No:442
|
| DB_ACCESS_NUMBER | PPIM2436 | | CID | 6917515 | | CHEMBL_ID | | | NSC_ID | NSC734554 | | PDB_CODE | | | Molecular Weight (g/mol) | 272.3 | | XLogP3-AA | 1.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 1 | | Complexity | 618 | | Topological Polar Surface Area (A^2) | 63.6 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5925549 | | Predicted Log 10(IC50) values | 5.4063733 | | 2D Structure |  |
Record No:443
|
| DB_ACCESS_NUMBER | PPIM2437 | | CID | 72499 | | CHEMBL_ID | CHEMBL1971501 | | NSC_ID | NSC652596 | | PDB_CODE | | | Molecular Weight (g/mol) | 376.45 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 2 | | Complexity | 829 | | Topological Polar Surface Area (A^2) | 68.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4158644 | | Predicted Log 10(IC50) values | 4.6374788 | | 2D Structure |  |
Record No:444
|
| DB_ACCESS_NUMBER | PPIM2438 | | CID | 72571 | | CHEMBL_ID | | | NSC_ID | NSC73735 | | PDB_CODE | | | Molecular Weight (g/mol) | 484.50 | | XLogP3-AA | 6.7 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 9 | | Complexity | 675 | | Topological Polar Surface Area (A^2) | 117 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5943378 | | Predicted Log 10(IC50) values | 4.874311 | | 2D Structure |  |
Record No:445
|
| DB_ACCESS_NUMBER | PPIM2439 | | CID | 84923 | | CHEMBL_ID | | | NSC_ID | NSC119944 | | PDB_CODE | | | Molecular Weight (g/mol) | 474.7 | | XLogP3-AA | 9.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 8 | | Complexity | 690 | | Topological Polar Surface Area (A^2) | 83 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4443015 | | Predicted Log 10(IC50) values | 4.7853544 | | 2D Structure |  |
Record No:446
|
| DB_ACCESS_NUMBER | PPIM2440 | | CID | 9554587 | | CHEMBL_ID | | | NSC_ID | NSC158587 | | PDB_CODE | | | Molecular Weight (g/mol) | 291.35 | | XLogP3-AA | 3.1 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 2 | | Complexity | 620 | | Topological Polar Surface Area (A^2) | 56.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5106015 | | Predicted Log 10(IC50) values | 5.3841301 | | 2D Structure |  |
Record No:447
|
| DB_ACCESS_NUMBER | PPIM2441 | | CID | 9554930 | | CHEMBL_ID | | | NSC_ID | NSC209014 | | PDB_CODE | | | Molecular Weight (g/mol) | 452.52 | | XLogP3-AA | 4.8 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 8 | | Complexity | 656 | | Topological Polar Surface Area (A^2) | 111 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4065738 | | Predicted Log 10(IC50) values | 4.9193156 | | 2D Structure |  |
Record No:448
|
| DB_ACCESS_NUMBER | PPIM2442 | | CID | 9555370 | | CHEMBL_ID | CHEMBL1983586 | | NSC_ID | NSC310340 | | PDB_CODE | | | Molecular Weight (g/mol) | 483.94 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 8 | | Complexity | 704 | | Topological Polar Surface Area (A^2) | 86.4 | | Heavy Atom Count | 34 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4042414 | | Predicted Log 10(IC50) values | 4.7571772 | | 2D Structure |  |
Record No:449
|
| DB_ACCESS_NUMBER | PPIM2443 | | CID | 9555397 | | CHEMBL_ID | | | NSC_ID | NSC316087 | | PDB_CODE | | | Molecular Weight (g/mol) | 490.56 | | XLogP3-AA | 4.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 11 | | Complexity | 699 | | Topological Polar Surface Area (A^2) | 118 | | Heavy Atom Count | 36 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4360261 | | Predicted Log 10(IC50) values | 4.837472 | | 2D Structure |  |
Record No:450
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| DB_ACCESS_NUMBER | PPIM2444 | | CID | 9555905 | | CHEMBL_ID | CHEMBL1976418 | | NSC_ID | NSC650812 | | PDB_CODE | | | Molecular Weight (g/mol) | 472.56 | | XLogP3-AA | 5.2 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 9 | | Complexity | 654 | | Topological Polar Surface Area (A^2) | 114 | | Heavy Atom Count | 34 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5583906 | | Predicted Log 10(IC50) values | 4.9024045 | | 2D Structure |  |
Record No:451
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| DB_ACCESS_NUMBER | PPIM2445 | | CID | 9568394 | | CHEMBL_ID | | | NSC_ID | NSC103675 | | PDB_CODE | | | Molecular Weight (g/mol) | 486.53 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 10 | | Complexity | 654 | | Topological Polar Surface Area (A^2) | 112 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.496543 | | Predicted Log 10(IC50) values | 4.8941661 | | 2D Structure |  |
Record No:452
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| DB_ACCESS_NUMBER | PPIM2446 | | CID | 9568415 | | CHEMBL_ID | | | NSC_ID | NSC103854 | | PDB_CODE | | | Molecular Weight (g/mol) | 486.53 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 10 | | Rotatable Bond Count | 10 | | Complexity | 654 | | Topological Polar Surface Area (A^2) | 112 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.496543 | | Predicted Log 10(IC50) values | 4.8941661 | | 2D Structure |  |
Record No:453
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| DB_ACCESS_NUMBER | PPIM2447 | | CID | 9571961 | | CHEMBL_ID | CHEMBL2002508 | | NSC_ID | NSC678883 | | PDB_CODE | | | Molecular Weight (g/mol) | 385.85 | | XLogP3-AA | 4.4 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 3 | | Complexity | 804 | | Topological Polar Surface Area (A^2) | 53.8 | | Heavy Atom Count | 28 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4166241 | | Predicted Log 10(IC50) values | 4.6556686 | | 2D Structure |  |
Record No:454
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| DB_ACCESS_NUMBER | PPIM2448 | | CID | 9572204 | | CHEMBL_ID | CHEMBL307241 | | NSC_ID | NSC707047 | | PDB_CODE | | | Molecular Weight (g/mol) | 464.76 | | XLogP3-AA | 6 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 5 | | Complexity | 661 | | Topological Polar Surface Area (A^2) | 127 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4649531 | | Predicted Log 10(IC50) values | 4.9184123 | | 2D Structure |  |
Record No:455
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| DB_ACCESS_NUMBER | PPIM2449 | | CID | 9572516 | | CHEMBL_ID | | | NSC_ID | NSC718899 | | PDB_CODE | | | Molecular Weight (g/mol) | 471.51 | | XLogP3-AA | 1.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 0 | | Complexity | 671 | | Topological Polar Surface Area (A^2) | 114 | | Heavy Atom Count | 35 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5039818 | | Predicted Log 10(IC50) values | 4.8809609 | | 2D Structure |  |
Record No:456
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| DB_ACCESS_NUMBER | PPIM2450 | | CID | 9572669 | | CHEMBL_ID | CHEMBL1995368 | | NSC_ID | NSC724064 | | PDB_CODE | | | Molecular Weight (g/mol) | 506.62 | | XLogP3-AA | 6.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 10 | | Complexity | 683 | | Topological Polar Surface Area (A^2) | 108 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4295441 | | Predicted Log 10(IC50) values | 4.8079045 | | 2D Structure |  |
Record No:457
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| DB_ACCESS_NUMBER | PPIM2451 | | CID | 9572690 | | CHEMBL_ID | CHEMBL2003005 | | NSC_ID | NSC724342 | | PDB_CODE | | | Molecular Weight (g/mol) | 490.42 | | XLogP3-AA | 4.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 11 | | Rotatable Bond Count | 8 | | Complexity | 656 | | Topological Polar Surface Area (A^2) | 108 | | Heavy Atom Count | 33 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4306139 | | Predicted Log 10(IC50) values | 4.8856518 | | 2D Structure |  |
Record No:458
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| DB_ACCESS_NUMBER | PPIM2452 | | CID | 9572748 | | CHEMBL_ID | | | NSC_ID | NSC725213 | | PDB_CODE | | | Molecular Weight (g/mol) | 477.29 | | XLogP3-AA | 6.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 5 | | Complexity | 652 | | Topological Polar Surface Area (A^2) | 125 | | Heavy Atom Count | 31 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5066097 | | Predicted Log 10(IC50) values | 4.922951 | | 2D Structure |  |
Record No:459
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| DB_ACCESS_NUMBER | PPIM2453 | | CID | 9604729 | | CHEMBL_ID | CHEMBL3349413 | | NSC_ID | NSC730489 | | PDB_CODE | | | Molecular Weight (g/mol) | 485.65 | | XLogP3-AA | 5.7 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 9 | | Complexity | 707 | | Topological Polar Surface Area (A^2) | 83.3 | | Heavy Atom Count | 35 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4171074 | | Predicted Log 10(IC50) values | 4.7271243 | | 2D Structure |  |
Record No:460
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| DB_ACCESS_NUMBER | PPIM2454 | | CID | 99614 | | CHEMBL_ID | | | NSC_ID | NSC249982 | | PDB_CODE | | | Molecular Weight (g/mol) | 500.58 | | XLogP3-AA | 7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 16 | | Complexity | 695 | | Topological Polar Surface Area (A^2) | 119 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4469324 | | Predicted Log 10(IC50) values | 4.837473 | | 2D Structure |  |
Record No:461
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| DB_ACCESS_NUMBER | PPIM2455 | | CID | 5035 | | CHEMBL_ID | | | NSC_ID | NSC747974 | | PDB_CODE | | | Molecular Weight (g/mol) | 473.58 | | XLogP3-AA | 6.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 7 | | Complexity | 655 | | Topological Polar Surface Area (A^2) | 98.2 | | 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 | Bcl2/Bak | | Clinical Application | Yes (FDA approved clinically passed drug) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4479725 | | Predicted Log 10(IC50) values | 4.875957 | | 2D Structure |  |
Record No:462
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| DB_ACCESS_NUMBER | PPIM2456 | | CID | 5291 | | CHEMBL_ID | | | NSC_ID | NSC743414 | | PDB_CODE | | | Molecular Weight (g/mol) | 493.61 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 7 | | Complexity | 706 | | Topological Polar Surface Area (A^2) | 86.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4156533 | | Predicted Log 10(IC50) values | 4.7224096 | | 2D Structure |  |
Record No:463
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| DB_ACCESS_NUMBER | PPIM2457 | | CID | 36238 | | CHEMBL_ID | | | NSC_ID | NSC90743 | | PDB_CODE | | | Molecular Weight (g/mol) | 474.62 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 4 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 12 | | Complexity | 655 | | Topological Polar Surface Area (A^2) | 125 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4878423 | | Predicted Log 10(IC50) values | 4.9130241 | | 2D Structure |  |
Record No:464
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| DB_ACCESS_NUMBER | PPIM2458 | | CID | 300390 | | CHEMBL_ID | | | NSC_ID | NSC174762 | | PDB_CODE | | | Molecular Weight (g/mol) | 284.31 | | XLogP3-AA | 5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 2 | | Rotatable Bond Count | 0 | | Complexity | 654 | | Topological Polar Surface Area (A^2) | 32.3 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6702272 | | Predicted Log 10(IC50) values | 5.4096882 | | 2D Structure |  |
Record No:465
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| DB_ACCESS_NUMBER | PPIM2459 | | CID | 5468067 | | CHEMBL_ID | CHEMBL1984186 | | NSC_ID | NSC663664 | | PDB_CODE | | | Molecular Weight (g/mol) | 486.56 | | XLogP3-AA | 6.7 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 4 | | Rotatable Bond Count | 11 | | Complexity | 713 | | Topological Polar Surface Area (A^2) | 102 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.4430747 | | Predicted Log 10(IC50) values | 4.7723637 | | 2D Structure |  |
Record No:466
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| DB_ACCESS_NUMBER | PPIM2460 | | CID | 300402 | | CHEMBL_ID | | | NSC_ID | NSC174775 | | PDB_CODE | | | Molecular Weight (g/mol) | 253.30 | | XLogP3-AA | 1.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 0 | | Complexity | 619 | | Topological Polar Surface Area (A^2) | 53.5 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.6557943 | | Predicted Log 10(IC50) values | 5.4997165 | | 2D Structure |  |
Record No:467
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| DB_ACCESS_NUMBER | PPIM2461 | | CID | 454878 | | CHEMBL_ID | | | NSC_ID | NSC736630 | | PDB_CODE | | | Molecular Weight (g/mol) | 462.54 | | XLogP3-AA | 6.9 | | Hydrogen Bond Donor Count | 6 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 3 | | Complexity | 640 | | Topological Polar Surface Area (A^2) | 121 | | 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 | Bcl2/Bak | | Clinical Application | No | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | predicted | | PUBMED_ID | | | Protein-Protein Interaction Modulator SVM score | 1.5010982 | | Predicted Log 10(IC50) values | 4.9163654 | | 2D Structure |  |
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