On Target ESR1_HUMAN 0.33793104/CHEMBL1318094
For the given ligand NB001, we have found in our database that, being scored 0.33793104, the most similar ligand is CHEMBL1318094. Check out the elaboration below.
| NB001 (Given Ligand) | CHEMBL1318094 (Similar Ligand) |
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| Nc1ncnc2c1ncn2CCNCCCCCO | O=C(CCCCCN1C(=S)Nc2ccccc2C1=O)N3CCN(CC3)c4ncccn4 |
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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 | 00050012 01002000 00100000 04000600 000c0000 00004060 02002000 20000808 06000100 e00c08e0 0120000c 40019000 0400900a 00e02000 000000c0 001c0004 20000000 0100c100 00602020 00a10201 c0000000 3e000638 21800861 02300018 00000000 80000000 20000000 10040000 08004018 00470801 40081000 00010288 |