On Target MDR1_HUMAN 0.40869564/CHEMBL2074609
For the given ligand NB001, we have found in our database that, being scored 0.40869564, the most similar ligand is CHEMBL2074609. Check out the elaboration below.
| NB001 (Given Ligand) | CHEMBL2074609 (Similar Ligand) |
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| Nc1ncnc2c1ncn2CCNCCCCCO | Cl.CC1(C)CC(=O)N(CCCCN2CCN(CC2)c3ncccn3)C(=O)C1O |
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| 0000000a 01801c00 00180000 48080620 00180040 0000c000 00008000 20000800 00600100 00000080 0020900c 40011000 00001002 01800000 00080880 100c000c 00000000 00000000 00400000 80200201 80000000 30000040 21800041 02100014 08000000 00000000 00000000 10000000 08000008 00460010 c0080000 00000ac0 | 00050002 01005000 00100000 04000600 00100080 00004000 00002000 20000000 00200100 20020080 00200004 50035000 04008012 00002000 00080000 001c000c 10000000 00004000 00400000 00a00201 00020000 36040600 23800861 02100018 00000000 00000000 00000000 10000000 08000018 00460801 40001000 00022a80 |