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P20309 | ACM3_HUMAN | Muscarinic acetylcholine receptor M3 (CHRM3)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL370232 OBDepict CH 3 O N HO S S Ki = 0.05 nM 359.52 CO[C@]1(C#CC(O)(c2cccs2)c2cccs2)CN2CCC1CC2 Homo sapiens CHEMBL863985 single protein format
CHEMBL523299 OBDepict OH + N O _ Br Ki = 0.06 nM 508.5 OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2.[Br-] Homo sapiens CHEMBL1015372 cell-based format
CHEMBL2103803 OBDepict H H + N H N CH 3 CH 3 _ Br Ki = 0.06 nM 425.41 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2.[Br-] Homo sapiens CHEMBL1786277 cell-based format
CHEMBL4636528 OBDepict O NH O F HN Cl F Ki = 0.069 nM 380.82 O=C(Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1)OCC1CCNCC1 Homo sapiens CHEMBL4605227 cell-based format
CHEMBL551466 OBDepict O O OH S S H + N O _ Br Ki = 0.07 nM 564.57 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058946 single protein format
CHEMBL4633816 OBDepict O O NH H + N H 3 C F Cl F _ O O Ki = 0.07 nM 452.89 C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1)C2.O=C[O-] Homo sapiens CHEMBL4605227 cell-based format
CHEMBL556635 OBDepict O O HO S H + N O _ Br Ki = 0.07 nM 550.56 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1.[Br-] Homo sapiens CHEMBL1058946 single protein format
CHEMBL4647437 OBDepict O O NH H + N H 3 C F Cl _ O O Ki = 0.072 nM 434.9 C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1cccc(Cl)c1)C2.O=C[O-] Homo sapiens CHEMBL4605227 cell-based format
CHEMBL564057 OBDepict O O OH S S H + N _ Br Ki = 0.08 nM 534.54 O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058946 single protein format
CHEMBL200401 OBDepict CH 3 O N HO S S Ki = 0.08 nM 359.52 CO[C@]1(C#CC(O)(c2ccsc2)c2ccsc2)CN2CCC1CC2 Homo sapiens CHEMBL863985 single protein format
CHEMBL4640703 OBDepict O NH O F HN Cl Ki = 0.084 nM 362.83 O=C(Nc1ccc(F)cc1-c1cccc(Cl)c1)OCC1CCNCC1 Homo sapiens CHEMBL4605227 cell-based format
CHEMBL1910848 OBDepict H 2 N O N CH 3 CH 3 O Ki = 0.11 nM 428.58 CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2ccccc2)C1 Homo sapiens CHEMBL1913618 cell-based format
CHEMBL1910856 OBDepict HO O N CH 3 H 3 C O H 2 N Ki = 0.128 nM 444.58 CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1 Homo sapiens CHEMBL1913621 cell-based format
CHEMBL524097 OBDepict OH + N O _ Br Ki = 0.13 nM 508.5 OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2.[Br-] Homo sapiens CHEMBL1015372 cell-based format
CHEMBL381623 OBDepict CH 3 O N HO Ki = 0.13 nM 347.46 CO[C@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2 Homo sapiens CHEMBL863985 single protein format
CHEMBL2114068 OBDepict CH 3 O + S _ O CH 2 N Ki = 0.13 nM 423.62 C=C(c1ccc([S@@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL747826 single protein format
CHEMBL3545181 OBDepict O O OH S S H H + N H H O CH 3 H 3 C H OH 2 _ Br Ki = 0.14 nM 490.44 C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21.O.[Br-] Homo sapiens CHEMBL1058946 single protein format
CHEMBL71124 OBDepict H 3 C O + S _ O CH 3 N Ki = 0.16 nM 425.64 COc1ccc([S+]([O-])c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1 Homo sapiens CHEMBL747826 single protein format
CHEMBL2023764 OBDepict H 2 C + N CH 3 N _ Br Ki = 0.16 nM 493.53 C=CCCCC[N+]1(C)C2CCC1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2.[Br-] Homo sapiens CHEMBL2026110 cell-based format
CHEMBL3917058 OBDepict O O CH 3 H + N H 3 C CH 3 Ki = 0.16 nM 342.5 C[C@@](C(=O)O[C@@H]1CC2CCC1[N+]2(C)C)(c1ccccc1)C1CCCC1 Homo sapiens CHEMBL3705168 assay format
CHEMBL1910865 OBDepict F O HO N CH 3 H 3 C O H 2 N Ki = 0.163 nM 462.57 CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2F)C1 Homo sapiens CHEMBL1913621 cell-based format
CHEMBL551466 OBDepict O O OH S S H + N O _ Br IC50 = 0.17 nM 564.57 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058942 cell-based format
CHEMBL4644192 OBDepict _ O O F F F O O NH H + N CH 3 Ki = 0.17 nM 450.46 C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccccc1-c1ccccc1)C2.O=C([O-])C(F)(F)F Homo sapiens CHEMBL4605227 cell-based format
CHEMBL556635 OBDepict O O HO S H + N O _ Br IC50 = 0.18 nM 550.56 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1.[Br-] Homo sapiens CHEMBL1058942 cell-based format
CHEMBL3670827 OBDepict O O OH H + N H 3 C CH 3 Ki = 0.18 nM 344.48 C[N+]1(C)C2CCC1[C@@H](OC(=O)[C@@](O)(c1ccccc1)C1CCCC1)C2 Homo sapiens CHEMBL3705168 assay format
CHEMBL1910851 OBDepict HO O H N CH 3 H 3 C O H 2 N Ki = 0.18 nM 458.6 CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](Oc2cccc(O)c2)C1 Homo sapiens CHEMBL1913621 cell-based format
CHEMBL3670826 OBDepict O O OH H + N H 3 C CH 3 Ki = 0.18 nM 344.48 C[N+]1(C)C2CCC1[C@H](OC(=O)[C@@](O)(c1ccccc1)C1CCCC1)C2 Homo sapiens CHEMBL3705168 assay format
CHEMBL4440620 OBDepict O O OH S S H H + N H H O H 3 C H 3 C H _ Br Ki = 0.2 nM 472.43 C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21.[Br-] Homo sapiens CHEMBL4390203 cell-based format
CHEMBL200693 OBDepict CH 3 O N OH Ki = 0.2 nM 353.51 CO[C@]1(C#CC(O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2 Homo sapiens CHEMBL863985 single protein format
CHEMBL564057 OBDepict O O OH S S H + N _ Br IC50 = 0.2 nM 534.54 O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058942 cell-based format
CHEMBL1779133 OBDepict O N O H + N S O _ Br IC50 = 0.2 nM 543.53 O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccsc1)c1ccccc1.[Br-] Homo sapiens CHEMBL1781310 cell-based format
CHEMBL1910850 OBDepict HO O H N CH 3 H 3 C O H 2 N Ki = 0.201 nM 458.6 CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@@H](Oc2cccc(O)c2)C1 Homo sapiens CHEMBL1913621 cell-based format
CHEMBL3670828 OBDepict O O OH H + N H 3 C CH 3 Ki = 0.22 nM 344.48 C[N+]1(C)C2CCC1[C@@H](OC(=O)[C@](O)(c1ccccc1)C1CCCC1)C2 Homo sapiens CHEMBL3705168 assay format
CHEMBL234440 OBDepict CH 3 N H 3 C N H O O Cl Cl O Ki = 0.22 nM 403.35 CN(C)C1(CNCCC2CCOCC2)COc2cc(Cl)c(Cl)cc2OC1 Homo sapiens CHEMBL891647 cell-based format
CHEMBL4639307 OBDepict _ O O F F F O O NH H + N CH 3 F Ki = 0.23 nM 468.45 C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1ccccc1)C2.O=C([O-])C(F)(F)F Homo sapiens CHEMBL4605227 cell-based format
CHEMBL551729 OBDepict O O OH S S H N IC50 = 0.23 nM 349.48 O=C(O[C@H]1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1 Homo sapiens CHEMBL1058942 cell-based format
CHEMBL3917058 OBDepict O O CH 3 H + N H 3 C CH 3 IC50 = 0.23 nM 342.5 C[C@@](C(=O)O[C@@H]1CC2CCC1[N+]2(C)C)(c1ccccc1)C1CCCC1 Homo sapiens CHEMBL3705168 assay format
CHEMBL1201024 OBDepict HO H O O H H + N H H O CH 3 CH 3 H _ Br Ki = 0.239 nM 398.3 C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21.[Br-] Homo sapiens CHEMBL1909172 cell membrane format
CHEMBL556221 OBDepict O O CH 3 H O + N O _ Br IC50 = 0.24 nM 564.52 CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc21.[Br-] Homo sapiens CHEMBL1058942 cell-based format
CHEMBL551327 OBDepict O O HO S S H + N O _ Br IC50 = 0.24 nM 564.57 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccsc1)c1ccsc1.[Br-] Homo sapiens CHEMBL1058942 cell-based format
CHEMBL556222 OBDepict O O HO S H + N O _ Br IC50 = 0.25 nM 558.54 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1.[Br-] Homo sapiens CHEMBL1058942 cell-based format
CHEMBL4649201 OBDepict O NH O F HN Cl Cl Ki = 0.25 nM 397.28 O=C(Nc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)OCC1CCNCC1 Homo sapiens CHEMBL4605227 cell-based format
CHEMBL200171 OBDepict CH 3 O N OH N Ki = 0.25 nM 348.45 CO[C@]1(C#C[C@@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 Homo sapiens CHEMBL863985 single protein format
CHEMBL200432 OBDepict H 3 C O N HO Ki = 0.25 nM 339.48 COC1(C#CC(O)(c2ccccc2)C2CCCC2)CN2CCC1CC2 Homo sapiens CHEMBL863985 single protein format
CHEMBL3670827 OBDepict O O OH H + N H 3 C CH 3 IC50 = 0.25 nM 344.48 C[N+]1(C)C2CCC1[C@@H](OC(=O)[C@@](O)(c1ccccc1)C1CCCC1)C2 Homo sapiens CHEMBL3705168 assay format
CHEMBL3670826 OBDepict O O OH H + N H 3 C CH 3 IC50 = 0.25 nM 344.48 C[N+]1(C)C2CCC1[C@H](OC(=O)[C@@](O)(c1ccccc1)C1CCCC1)C2 Homo sapiens CHEMBL3705168 assay format
CHEMBL2449003 OBDepict OH H O O H N H CH 3 Ki = 0.27 nM 289.38 CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 Homo sapiens CHEMBL3106108 single protein format
CHEMBL1201203 OBDepict H O H N H CH 3 Ki = 0.272 nM 307.44 CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2 Homo sapiens CHEMBL1909172 cell membrane format
CHEMBL564515 OBDepict O O OH H O + N _ Br IC50 = 0.28 nM 536.47 O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21.[Br-] Homo sapiens CHEMBL1058942 cell-based format
CHEMBL1779131 OBDepict O N O H S + N O _ Br IC50 = 0.3 nM 543.53 O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cccs1)c1ccccc1.[Br-] Homo sapiens CHEMBL1781310 cell-based format
CHEMBL3670828 OBDepict O O OH H + N H 3 C CH 3 IC50 = 0.3 nM 344.48 C[N+]1(C)C2CCC1[C@@H](OC(=O)[C@](O)(c1ccccc1)C1CCCC1)C2 Homo sapiens CHEMBL3705168 assay format
CHEMBL1779049 OBDepict O N O H + N _ Br IC50 = 0.3 nM 535.53 O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1.[Br-] Homo sapiens CHEMBL1781310 cell-based format
CHEMBL564747 OBDepict O O OH S H N IC50 = 0.31 nM 343.45 O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1 Homo sapiens CHEMBL1058942 cell-based format
CHEMBL559106 OBDepict O O H O + N _ Br IC50 = 0.31 nM 520.47 O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21.[Br-] Homo sapiens CHEMBL1058942 cell-based format
CHEMBL427013 OBDepict CH 3 O N OH N F Ki = 0.32 nM 366.44 COC1(C#CC(O)(c2ccccc2)c2ccc(F)nc2)CN2CCC1CC2 Homo sapiens CHEMBL863985 single protein format
CHEMBL3629354 OBDepict CH 3 N N N N OH Ki = 0.34 nM 362.48 CN1CCC(Cn2cnc(C(O)(c3ccccc3)c3ccccc3)n2)CC1 Homo sapiens CHEMBL3630581 single protein format
CHEMBL4645543 OBDepict O O N H H N F Ki = 0.34 nM 340.4 O=C(Nc1ccc(F)cc1-c1ccccc1)O[C@H]1CN2CCC1CC2 Homo sapiens CHEMBL4605227 cell-based format
CHEMBL3545181 OBDepict O O OH S S H H + N H H O CH 3 H 3 C H OH 2 _ Br IC50 = 0.35 nM 490.44 C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21.O.[Br-] Homo sapiens CHEMBL1058942 cell-based format
CHEMBL4640324 OBDepict O O N H H N F Cl F Ki = 0.35 nM 392.83 O=C(Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1)O[C@H]1CN2CCC1CC2 Homo sapiens CHEMBL4605227 cell-based format
CHEMBL4644670 OBDepict O O N H H N Ki = 0.36 nM 322.41 O=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2 Homo sapiens CHEMBL4605227 cell-based format
CHEMBL551063 OBDepict O O S S H + N O _ Br IC50 = 0.37 nM 548.57 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058942 cell-based format
CHEMBL2115128 OBDepict CH 3 O + S _ O CH 2 N Ki = 0.38 nM 423.62 C=C(c1ccc([S@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL747826 single protein format
CHEMBL549784 OBDepict H 3 C + N H O O HO S S _ Br IC50 = 0.39 nM 528.58 CCCCCCC[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2.[Br-] Homo sapiens CHEMBL1058942 cell-based format
CHEMBL562642 OBDepict O O OH S H N IC50 = 0.39 nM 335.47 O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 Homo sapiens CHEMBL1058942 cell-based format
CHEMBL4648071 OBDepict O O N H H N F Cl Ki = 0.39 nM 374.84 O=C(Nc1ccc(F)cc1-c1cccc(Cl)c1)O[C@H]1CN2CCC1CC2 Homo sapiens CHEMBL4605227 cell-based format
CHEMBL200319 OBDepict CH 3 O N OH N Ki = 0.4 nM 348.45 COC1(C#CC(O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 Homo sapiens CHEMBL863985 single protein format
CHEMBL4483083 OBDepict O O HO H + N _ Br Ki = 0.4 nM 536.51 O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1.[Br-] Homo sapiens CHEMBL4390203 cell-based format
CHEMBL556426 OBDepict O O OH S H N IC50 = 0.42 nM 343.45 O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1ccccc1)c1cccs1 Homo sapiens CHEMBL1058942 cell-based format
CHEMBL4448944 OBDepict O O HO + N _ Br Ki = 0.44 nM 536.51 O=C(OC1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1.[Br-] Homo sapiens CHEMBL4390203 cell-based format
CHEMBL554725 OBDepict O O OH S S H + N _ Br IC50 = 0.45 nM 562.6 O=C(O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058942 cell-based format
CHEMBL3084413 OBDepict H S S H + N H CH 3 CH 3 _ Br Ki = 0.45 nM 410.45 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C=C(c1cccs1)c1cccs1)C2.[Br-] Homo sapiens CHEMBL1786277 cell-based format
CHEMBL4636302 OBDepict O NH O HN Ki = 0.47 nM 310.4 O=C(Nc1ccccc1-c1ccccc1)OCC1CCNCC1 Homo sapiens CHEMBL4605227 cell-based format
CHEMBL564765 OBDepict O O HO S H + N O _ Br IC50 = 0.48 nM 558.54 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1ccccc1)c1cccs1.[Br-] Homo sapiens CHEMBL1058942 cell-based format
CHEMBL71147 OBDepict CH 3 O S O O H 2 C N Ki = 0.48 nM 439.62 C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL747821 cell-based format
CHEMBL1777827 OBDepict O N O H S + N S _ Br IC50 = 0.5 nM 547.58 O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1cccs1)c1ccccc1.[Br-] Homo sapiens CHEMBL1781310 cell-based format
CHEMBL517712 OBDepict OH O O H H N H H 3 C Ki = 0.5 nM 289.37 CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 Homo sapiens CHEMBL747818 cell-based format
CHEMBL4519930 OBDepict Cl + N O O OH _ Br Ki = 0.51 nM 570.96 O=C(OC1C[N+]2(CCCc3ccc(Cl)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1.[Br-] Homo sapiens CHEMBL4390203 cell-based format
CHEMBL1683925 OBDepict NH 2 N O N H O Ki = 0.53 nM 409.57 NCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 Homo sapiens CHEMBL1686736 cell-based format
CHEMBL4643867 OBDepict O O N H H N F Cl Cl Ki = 0.53 nM 409.29 O=C(Nc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)O[C@H]1CN2CCC1CC2 Homo sapiens CHEMBL4605227 cell-based format
CHEMBL2377383 OBDepict CH 3 + N H 3 C H 3 C O O _ I Ki = 0.543 nM 467.39 CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.[I-] Homo sapiens CHEMBL2380033 cell-based format
CHEMBL561187 OBDepict O O H 3 C S S H + N O _ Br IC50 = 0.59 nM 562.6 CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058942 cell-based format
CHEMBL76897 OBDepict O O + N CH 3 CH 3 _ I IC50 = 0.59 nM 451.35 C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1.[I-] Homo sapiens CHEMBL947359 single protein format
CHEMBL1779132 OBDepict O N O H + N S S _ Br IC50 = 0.6 nM 547.58 O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccsc1)c1ccccc1.[Br-] Homo sapiens CHEMBL1781310 cell-based format
CHEMBL1779128 OBDepict O N O H + N S _ Br IC50 = 0.6 nM 541.56 O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccccc1)c1ccccc1.[Br-] Homo sapiens CHEMBL1781310 cell-based format
CHEMBL560327 OBDepict O O OH S S H + N CH 3 _ Br IC50 = 0.6 nM 444.42 C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2.[Br-] Homo sapiens CHEMBL1058942 cell-based format
CHEMBL1779136 OBDepict CH 3 N O O H + N S _ Br IC50 = 0.6 nM 507.54 CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)c1ccccc1.[Br-] Homo sapiens CHEMBL1781310 cell-based format
CHEMBL1779033 OBDepict O N O H S N IC50 = 0.6 nM 342.46 O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)c1ccccc1 Homo sapiens CHEMBL1781310 cell-based format
CHEMBL551731 OBDepict O O HO H + N O _ Br IC50 = 0.61 nM 552.51 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1.[Br-] Homo sapiens CHEMBL1058942 cell-based format
CHEMBL200416 OBDepict H 3 C HO O H 3 C N Ki = 0.63 nM 327.47 CCCCC(O)(C#CC1(OC)CN2CCC1CC2)c1ccccc1 Homo sapiens CHEMBL863985 single protein format
CHEMBL4644852 OBDepict O HN O F NH Ki = 0.63 nM 328.39 O=C(Nc1ccc(F)cc1-c1ccccc1)OCC1CCNCC1 Homo sapiens CHEMBL4605227 cell-based format
CHEMBL4639938 OBDepict O O NH H H N H CH 3 H O H F Ki = 0.65 nM 368.41 CN1[C@H]2C[C@@H](OC(=O)Nc3ccc(F)cc3-c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 Homo sapiens CHEMBL4605227 cell-based format
CHEMBL4457734 OBDepict O O HO + N S _ Br Ki = 0.65 nM 554.55 O=C(OC1C[N+]2(CCSc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1.[Br-] Homo sapiens CHEMBL4390203 cell-based format
CHEMBL223055 OBDepict O HN N + N CH 3 _ Br Ki = 0.67 nM 506.49 C[N+]1(CCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1.[Br-] Homo sapiens CHEMBL913822 cell-based format
CHEMBL76897 OBDepict O O + N CH 3 CH 3 _ I Ki = 0.68 nM 451.35 C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1.[I-] Homo sapiens CHEMBL899144 cell-based format
CHEMBL554699 OBDepict O O OH S H N IC50 = 0.7 nM 335.47 O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1cccs1)C1CCCC1 Homo sapiens CHEMBL1058942 cell-based format
CHEMBL3401650 OBDepict O N H OH S S H + N O _ Br IC50 = 0.7 nM 549.56 O=C(N[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL3406980 cell-based format
CHEMBL3401649 OBDepict O N H HO S S H + N S _ Br IC50 = 0.7 nM 553.61 O=C(N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL3406980 cell-based format
CHEMBL3401648 OBDepict O N H OH S S H + N _ Br IC50 = 0.7 nM 547.58 O=C(N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL3406980 cell-based format
CHEMBL374452 OBDepict O HN N + N CH 3 Ki = 0.7 nM 440.61 C[N+]1(CCCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 Homo sapiens CHEMBL913822 cell-based format
CHEMBL561870 OBDepict O O HO H + N O _ Br IC50 = 0.71 nM 550.49 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21.[Br-] Homo sapiens CHEMBL1058942 cell-based format