On Target ESR1_HUMAN 0.35080644/CHEMBL4080245
For the given ligand test, we have found in our database that, being scored 0.35080644, the most similar ligand is CHEMBL4080245. Check out the elaboration below.
| test (Given Ligand) | CHEMBL4080245 (Similar Ligand) |
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| CC2(C)C(=O)N(c1ccc(C#N)c(C(F)(F)F)c1F)C(=S)N2c4ccc(CCCc3ncco3)nc4 | CC(C)c1ccc(cn1)N2CCc3cc(O)ccc3C2(C)c4ccc(\C=C\C(=O)O)cc4 |
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| 0041400e 01800804 c0184322 52010e60 34040020 09000038 01000434 20002001 00004d00 008a2a50 08388004 5180b824 04009c01 0930b000 00020063 02040004 084c0600 06402808 88a00008 41000a15 441c0500 38018600 60826480 04500012 0115000a 81100381 04000440 98040081 08608004 00c68403 0c145000 68014688 | 0000400a 42800808 20104100 50010620 24040020 88000010 82000480 03001401 01800180 00080840 08208004 4080c800 84008882 00308000 00020403 020c000c 00040600 02000028 08318018 00020204 41120000 18208a00 20814000 81400011 00801002 e1100000 00722440 c0000080 06400184 00460002 24040020 20000680 |