|
Record No:1
|
| DB_ACCESS_NUMBER | PPIM2462 | | CID | 2836606 | | CHEMBL_ID | CHEMBL1336889 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 300.23 | | XLogP3-AA | 2.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 3 | | Complexity | 435 | | Topological Polar Surface Area (A^2) | 134 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 33000 | | Target Protein-protein Interaction complex | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | ABCB6, Abhd4, ABHD5, ABL1, ACP1, ADAM10, AGP1 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 0.94725701 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:2
|
| DB_ACCESS_NUMBER | PPIM2463 | | CID | 87615 | | CHEMBL_ID | CHEMBL1365380 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 270.24 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 3 | | Complexity | 343 | | Topological Polar Surface Area (A^2) | 96.8 | | 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 | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | pos-1, mex-5, PLK1, TSG101, ABCB1, ABCG2, Abhd17b, ADRB2, AGP1 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 1.0995727 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:3
|
| DB_ACCESS_NUMBER | PPIM2464 | | CID | 356301 | | CHEMBL_ID | CHEMBL1371773 | | NSC_ID | NSC611541 | | PDB_CODE | | | Molecular Weight (g/mol) | 256.22 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 2 | | Complexity | 329 | | Topological Polar Surface Area (A^2) | 96.8 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | SLC5A7, PTH1R, PIN1, skn-1, WRN, VMA11, vif, VDR, USP2, USP1, UHRF1 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 0.99989723 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:4
|
| DB_ACCESS_NUMBER | PPIM2465 | | CID | 2836605 | | CHEMBL_ID | CHEMBL1391773 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 300.23 | | XLogP3-AA | 2.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 3 | | Complexity | 443 | | Topological Polar Surface Area (A^2) | 134 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 89215 | | Target Protein-protein Interaction complex | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | MBNL1, GMNN, ABCB6, Abhd17b, ABHD5, ABL1, ACP1, ADRB2, AHR, AGP1 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 1.0339688 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:5
|
| DB_ACCESS_NUMBER | PPIM2466 | | CID | 3128213 | | CHEMBL_ID | CHEMBL1464017 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 300.23 | | XLogP3-AA | 2.1 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 3 | | Complexity | 443 | | Topological Polar Surface Area (A^2) | 134 | | 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 | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | GMNN, MBNL1, ATXN2, MEN1, AMA1, ACP1, ADAM10, ADAM17, ABCB6, ABHD5, ABL1 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 1.0329616 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:6
|
| DB_ACCESS_NUMBER | PPIM2467 | | CID | 5719582 | | CHEMBL_ID | CHEMBL1595909 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 272.22 | | XLogP3-AA | 2.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 1 | | Complexity | 522 | | Topological Polar Surface Area (A^2) | 109 | | Heavy Atom Count | 20 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 5810 | | Target Protein-protein Interaction complex | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | GLP1R, ABCB6, Abhd4, ABHD5, ABL1, ACP1, ADRB2, AGP1, ALPI | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 1.0000434 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:7
|
| DB_ACCESS_NUMBER | PPIM2468 | | CID | 13452096 | | CHEMBL_ID | CHEMBL2205739 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 262.26 | | XLogP3-AA | 2.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 2 | | Complexity | 329 | | Topological Polar Surface Area (A^2) | 96.8 | | Heavy Atom Count | 19 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 1.0308592 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:8
|
| DB_ACCESS_NUMBER | PPIM2469 | | CID | 71517579 | | CHEMBL_ID | CHEMBL2311551 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 344.37 | | XLogP3-AA | 3.5 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 4 | | Complexity | 482 | | Topological Polar Surface Area (A^2) | 80 | | 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 | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 0.70691433 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:9
|
| DB_ACCESS_NUMBER | PPIM2470 | | CID | 2821613 | | CHEMBL_ID | CHEMBL2312740 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 248.24 | | XLogP3-AA | 2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 1 | | Complexity | 316 | | Topological Polar Surface Area (A^2) | 88 | | 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 | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | Galr2, S1PR1, NOX1, NOTCH1, OPRK1, PPME1 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 0.63998337 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:10
|
| DB_ACCESS_NUMBER | PPIM2471 | | CID | 356302 | | CHEMBL_ID | CHEMBL2312741 | | NSC_ID | NSC611542 | | PDB_CODE | | | Molecular Weight (g/mol) | 270.24 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 2 | | Complexity | 362 | | Topological Polar Surface Area (A^2) | 96.8 | | 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 | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | DUSP3, NR4A1, PTPN7 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 1.05787 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:11
|
| DB_ACCESS_NUMBER | PPIM2472 | | CID | 71517406 | | CHEMBL_ID | CHEMBL2312742 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 335.11 | | XLogP3-AA | 3.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 2 | | Complexity | 367 | | Topological Polar Surface Area (A^2) | 96.8 | | 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 | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | -0.032969604 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:12
|
| DB_ACCESS_NUMBER | PPIM2473 | | CID | 2821614 | | CHEMBL_ID | CHEMBL2312743 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 286.24 | | XLogP3-AA | 2.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 3 | | Complexity | 378 | | Topological Polar Surface Area (A^2) | 106 | | 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 | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | Galr2, S1PR1, NOX1, NOTCH1, OPRK1, PPME1 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 0.99984158 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:13
|
| DB_ACCESS_NUMBER | PPIM2474 | | CID | 71517407 | | CHEMBL_ID | CHEMBL2312744 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 333.30 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 0 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 3 | | Complexity | 466 | | Topological Polar Surface Area (A^2) | 94 | | 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 | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 1.0007472 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:14
|
| DB_ACCESS_NUMBER | PPIM2475 | | CID | 22706668 | | CHEMBL_ID | CHEMBL2312745 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 306.28 | | XLogP3-AA | 3.8 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 2 | | Complexity | 444 | | Topological Polar Surface Area (A^2) | 96.8 | | 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 | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 0.90791556 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:15
|
| DB_ACCESS_NUMBER | PPIM2476 | | CID | 71517578 | | CHEMBL_ID | CHEMBL2312746 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 332.31 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 3 | | Complexity | 466 | | Topological Polar Surface Area (A^2) | 96.8 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 1.0631723 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:16
|
| DB_ACCESS_NUMBER | PPIM2477 | | CID | 5078306 | | CHEMBL_ID | CHEMBL2312747 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 332.31 | | XLogP3-AA | 4.2 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 3 | | Complexity | 458 | | Topological Polar Surface Area (A^2) | 96.8 | | Heavy Atom Count | 25 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 0.98356483 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:17
|
| DB_ACCESS_NUMBER | PPIM2478 | | CID | 2821620 | | CHEMBL_ID | CHEMBL2312748 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 270.24 | | XLogP3-AA | 2.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 2 | | Complexity | 354 | | Topological Polar Surface Area (A^2) | 96.8 | | 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 | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | DUSP3, NR4A1, PTPN7 | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 1.0948051 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:18
|
| DB_ACCESS_NUMBER | PPIM2479 | | CID | 5719583 | | CHEMBL_ID | CHEMBL2312749 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 272.22 | | XLogP3-AA | 2.3 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 1 | | Complexity | 504 | | Topological Polar Surface Area (A^2) | 109 | | 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 | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | YWHAG | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 1.02787 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:19
|
| DB_ACCESS_NUMBER | PPIM2480 | | CID | 71518577 | | CHEMBL_ID | CHEMBL2312750 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 302.33 | | XLogP3-AA | 3.7 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 5 | | Rotatable Bond Count | 3 | | Complexity | 387 | | Topological Polar Surface Area (A^2) | 77 | | 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 | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 0.51748012 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:20
|
| DB_ACCESS_NUMBER | PPIM2481 | | CID | 71517580 | | CHEMBL_ID | CHEMBL2312751 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 398.34 | | XLogP3-AA | 4.6 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 4 | | Complexity | 570 | | Topological Polar Surface Area (A^2) | 80 | | 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 | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 1.0002998 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:21
|
| DB_ACCESS_NUMBER | PPIM2482 | | CID | 71517581 | | CHEMBL_ID | CHEMBL2312752 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 360.37 | | XLogP3-AA | 3.9 | | Hydrogen Bond Donor Count | 2 | | Hydrogen Bond Acceptor Count | 6 | | Rotatable Bond Count | 5 | | Complexity | 500 | | Topological Polar Surface Area (A^2) | 89.3 | | 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 | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 0.99994031 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:22
|
| DB_ACCESS_NUMBER | PPIM2483 | | CID | 71517742 | | CHEMBL_ID | CHEMBL2312753 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 402.41 | | XLogP3-AA | 3 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 7 | | Rotatable Bond Count | 7 | | Complexity | 598 | | Topological Polar Surface Area (A^2) | 117 | | 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 | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 1.3461312 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:23
|
| DB_ACCESS_NUMBER | PPIM2484 | | CID | 71517743 | | CHEMBL_ID | CHEMBL2312754 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 418.40 | | XLogP3-AA | 3 | | Hydrogen Bond Donor Count | 3 | | Hydrogen Bond Acceptor Count | 8 | | Rotatable Bond Count | 8 | | Complexity | 615 | | 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 | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 0.99989681 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:24
|
| DB_ACCESS_NUMBER | PPIM2485 | | CID | 71518900 | | CHEMBL_ID | CHEMBL2312755 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 290.32 | | XLogP3-AA | 4.9 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 3 | | Rotatable Bond Count | 3 | | Complexity | 355 | | Topological Polar Surface Area (A^2) | 57.8 | | Heavy Atom Count | 22 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | | | Target Protein-protein Interaction complex | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 23177256 | | Protein-Protein Interaction Modulator SVM score | 0.14377551 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
Record No:25
|
| DB_ACCESS_NUMBER | PPIM2486 | | CID | 1045147 | | CHEMBL_ID | CHEMBL3222135 | | NSC_ID | | | PDB_CODE | | | Molecular Weight (g/mol) | 526.88 | | XLogP3-AA | 4.5 | | Hydrogen Bond Donor Count | 1 | | Hydrogen Bond Acceptor Count | 9 | | Rotatable Bond Count | 8 | | Complexity | 837 | | Topological Polar Surface Area (A^2) | 117 | | Heavy Atom Count | 37 | | Defined Atom Stereocenter Count | 0 | | Defined Bond Stereocenter Count | 0 | | Covalently-Bonded Unit Count | 1 | | Experimentally verified IC50 values (nM) | 40000 | | Target Protein-protein Interaction complex | c-Myc/Max | | Clinical Application | Yes (useful for the treatment of cancer) | | Off Targets | | | Protein-Protein Interaction Type | Orthosteric | | Protein-Protein Interaction Modulator Type | Experimentally Verified or reviewed | | PUBMED_ID | 16873022 | | Protein-Protein Interaction Modulator SVM score | -1.005347 | | Predicted Log 10(IC50) values | NA | | 2D Structure |  |
|
