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P11229 | ACM1_HUMAN | Muscarinic acetylcholine receptor M1 (CHRM1)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_2 ]

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[ 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
CHEMBL2103803 OBDepict H H + N H N CH 3 CH 3 _ Br Ki = 0.05 nM 425.41 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2.[Br-] Homo sapiens CHEMBL1786275 cell-based format
CHEMBL12980 OBDepict O O HO N Ki = 0.051 nM 337.42 O=C(OC1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL747393 tissue-based format
CHEMBL551466 OBDepict O O OH S S H + N O _ Br Ki = 0.08 nM 564.57 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058948 single protein 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 CHEMBL1058948 single protein format
CHEMBL287868 OBDepict H 3 C N O O CH 3 Ki = 0.088 nM 349.47 CN1CC2CC(OC(=O)C(C)(c3ccccc3)c3ccccc3)CC1C2 Homo sapiens CHEMBL747397 cell-based format
CHEMBL556635 OBDepict O O HO S H + N O _ Br Ki = 0.09 nM 550.56 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1.[Br-] Homo sapiens CHEMBL1058948 single protein format
CHEMBL4647437 OBDepict O O NH H + N H 3 C F Cl _ O O Ki = 0.11 nM 434.9 C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1cccc(Cl)c1)C2.O=C[O-] Homo sapiens CHEMBL4605225 cell-based format
CHEMBL1910856 OBDepict HO O N CH 3 H 3 C O H 2 N Ki = 0.115 nM 444.58 CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1 Homo sapiens CHEMBL1913680 cell-based format
CHEMBL4633816 OBDepict O O NH H + N H 3 C F Cl F _ O O Ki = 0.12 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 CHEMBL4605225 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 Ki = 0.12 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 CHEMBL1058948 single protein format
CHEMBL2023764 OBDepict H 2 C + N CH 3 N _ Br Ki = 0.12 nM 493.53 C=CCCCC[N+]1(C)C2CCC1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2.[Br-] Homo sapiens CHEMBL2026108 cell-based format
CHEMBL335542 OBDepict H 3 C N N S O N O O O O N S N N H 3 C Ki = 0.12 nM 552.72 CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 Homo sapiens CHEMBL744770 cell-based format
CHEMBL1201203 OBDepict H O H N H CH 3 Ki = 0.131 nM 307.44 CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2 Homo sapiens CHEMBL1909170 cell membrane format
CHEMBL564057 OBDepict O O OH S S H + N _ Br IC50 = 0.14 nM 534.54 O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL551466 OBDepict O O OH S S H + N O _ Br IC50 = 0.14 nM 564.57 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL556635 OBDepict O O HO S H + N O _ Br IC50 = 0.15 nM 550.56 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL523299 OBDepict OH + N O _ Br Ki = 0.16 nM 508.5 OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2.[Br-] Homo sapiens CHEMBL1015370 cell-based format
CHEMBL556222 OBDepict O O HO S H + N O _ Br IC50 = 0.16 nM 558.54 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL141452 OBDepict CH 3 N N S O N O N S N N CH 3 Ki = 0.19 nM 504.73 CN1CCC=C(c2nsnc2OCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 Homo sapiens CHEMBL744770 cell-based format
CHEMBL562642 OBDepict O O OH S H N IC50 = 0.19 nM 335.47 O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 Homo sapiens CHEMBL1058940 cell-based format
CHEMBL551729 OBDepict O O OH S S H N IC50 = 0.2 nM 349.48 O=C(O[C@H]1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1 Homo sapiens CHEMBL1058940 cell-based format
CHEMBL564747 OBDepict O O OH S H N IC50 = 0.2 nM 343.45 O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1 Homo sapiens CHEMBL1058940 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 = 0.22 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 CHEMBL1058940 cell-based format
CHEMBL551327 OBDepict O O HO S S H + N O _ Br IC50 = 0.23 nM 564.57 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccsc1)c1ccsc1.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL143468 OBDepict CH 3 N N S O N O N S N N CH 3 Ki = 0.23 nM 532.78 CN1CCC=C(c2nsnc2OCCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 Homo sapiens CHEMBL744770 cell-based format
CHEMBL556426 OBDepict O O OH S H N IC50 = 0.23 nM 343.45 O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1ccccc1)c1cccs1 Homo sapiens CHEMBL1058940 cell-based format
CHEMBL562890 OBDepict O O HO H O + N O _ Br IC50 = 0.23 nM 566.49 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL554699 OBDepict O O OH S H N IC50 = 0.24 nM 335.47 O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1cccs1)C1CCCC1 Homo sapiens CHEMBL1058940 cell-based format
CHEMBL563887 OBDepict O O OH H N IC50 = 0.26 nM 335.4 O=C(O[C@H]1CN2CCC1CC2)C1(O)c2ccccc2-c2ccccc21 Homo sapiens CHEMBL1058940 cell-based format
CHEMBL4636528 OBDepict O NH O F HN Cl F Ki = 0.27 nM 380.82 O=C(Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1)OCC1CCNCC1 Homo sapiens CHEMBL4605225 cell-based 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 CHEMBL3106109 single protein format
CHEMBL556221 OBDepict O O CH 3 H O + N O _ Br IC50 = 0.28 nM 564.52 CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc21.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL554725 OBDepict O O OH S S H + N _ Br IC50 = 0.29 nM 562.6 O=C(O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL564515 OBDepict O O OH H O + N _ Br IC50 = 0.29 nM 536.47 O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL549577 OBDepict O O H O N IC50 = 0.31 nM 335.4 O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 Homo sapiens CHEMBL1058940 cell-based format
CHEMBL551731 OBDepict O O HO H + N O _ Br IC50 = 0.31 nM 552.51 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL143434 OBDepict CH 3 N N S S N S N S N N CH 3 Ki = 0.32 nM 564.92 CN1CCC=C(c2nsnc2SCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 Homo sapiens CHEMBL744770 cell-based format
CHEMBL563920 OBDepict H 3 C N CH 3 O H 3 C H N Ki = 0.32 nM 294.4 C[C@@H](c1ccccn1)c1c(CCN(C)C)oc2ccccc12 Homo sapiens CHEMBL1051820 cell-based format
CHEMBL1201024 OBDepict HO H O O H H + N H H O CH 3 CH 3 H _ Br Ki = 0.321 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 CHEMBL1909170 cell membrane format
CHEMBL517712 OBDepict OH O O H H N H H 3 C Ki = 0.329 nM 289.37 CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 Homo sapiens CHEMBL747398 cell-based format
CHEMBL551063 OBDepict O O S S H + N O _ Br IC50 = 0.34 nM 548.57 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL4640703 OBDepict O NH O F HN Cl Ki = 0.34 nM 362.83 O=C(Nc1ccc(F)cc1-c1cccc(Cl)c1)OCC1CCNCC1 Homo sapiens CHEMBL4605225 cell-based format
CHEMBL558910 OBDepict H O N O OH IC50 = 0.36 nM 337.42 O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL1058940 cell-based format
CHEMBL4640324 OBDepict O O N H H N F Cl F Ki = 0.36 nM 392.83 O=C(Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1)O[C@H]1CN2CCC1CC2 Homo sapiens CHEMBL4605225 cell-based format
CHEMBL564765 OBDepict O O HO S H + N O _ Br IC50 = 0.38 nM 558.54 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1ccccc1)c1cccs1.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL3084413 OBDepict H S S H + N H CH 3 CH 3 _ Br Ki = 0.38 nM 410.45 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C=C(c1cccs1)c1cccs1)C2.[Br-] Homo sapiens CHEMBL1786275 cell-based format
CHEMBL3401643 OBDepict O N H OH S H N IC50 = 0.4 nM 334.49 O=C(N[C@H]1CN2CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 Homo sapiens CHEMBL3406978 cell-based format
CHEMBL1779034 OBDepict O N O H N S IC50 = 0.4 nM 342.46 O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccsc1)c1ccccc1 Homo sapiens CHEMBL1781312 cell-based format
CHEMBL1779033 OBDepict O N O H S N IC50 = 0.4 nM 342.46 O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)c1ccccc1 Homo sapiens CHEMBL1781312 cell-based format
CHEMBL1777826 OBDepict O N O H N IC50 = 0.4 nM 336.44 O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)c1ccccc1 Homo sapiens CHEMBL1781312 cell-based format
CHEMBL1779133 OBDepict O N O H + N S O _ Br IC50 = 0.4 nM 543.53 O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccsc1)c1ccccc1.[Br-] Homo sapiens CHEMBL1781312 cell-based format
CHEMBL4644192 OBDepict _ O O F F F O O NH H + N CH 3 Ki = 0.4 nM 450.46 C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccccc1-c1ccccc1)C2.O=C([O-])C(F)(F)F Homo sapiens CHEMBL4605225 cell-based format
CHEMBL1779131 OBDepict O N O H S + N O _ Br IC50 = 0.4 nM 543.53 O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cccs1)c1ccccc1.[Br-] Homo sapiens CHEMBL1781312 cell-based format
CHEMBL549784 OBDepict H 3 C + N H O O HO S S _ Br IC50 = 0.41 nM 528.58 CCCCCCC[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL560327 OBDepict O O OH S S H + N CH 3 _ Br IC50 = 0.43 nM 444.42 C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL559106 OBDepict O O H O + N _ Br IC50 = 0.44 nM 520.47 O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL4648071 OBDepict O O N H H N F Cl Ki = 0.53 nM 374.84 O=C(Nc1ccc(F)cc1-c1cccc(Cl)c1)O[C@H]1CN2CCC1CC2 Homo sapiens CHEMBL4605225 cell-based format
CHEMBL4645543 OBDepict O O N H H N F Ki = 0.53 nM 340.4 O=C(Nc1ccc(F)cc1-c1ccccc1)O[C@H]1CN2CCC1CC2 Homo sapiens CHEMBL4605225 cell-based format
CHEMBL71124 OBDepict H 3 C O + S _ O CH 3 N Ki = 0.53 nM 425.64 COc1ccc([S+]([O-])c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1 Homo sapiens CHEMBL744922 single protein format
CHEMBL1201203 OBDepict H O H N H CH 3 IC50 = 0.544 nM 307.44 CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2 Homo sapiens CHEMBL1909170 cell membrane format
CHEMBL4644670 OBDepict O O N H H N Ki = 0.56 nM 322.41 O=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2 Homo sapiens CHEMBL4605225 cell-based format
CHEMBL143466 OBDepict H 3 C N N S S N S N S N N H 3 C Ki = 0.57 nM 578.94 CN1CCC=C(c2nsnc2SCCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 Homo sapiens CHEMBL744770 cell-based format
CHEMBL2377266 OBDepict H 3 C O Br S N H N O H 3 C N CH 3 Ki = 0.594 nM 382.28 COc1cc(Br)cc(C2Nc3c(c(C)nn3C)C(=O)CS2)c1 Homo sapiens CHEMBL2380035 cell-based format
CHEMBL561187 OBDepict O O H 3 C S S H + N O _ Br IC50 = 0.6 nM 562.6 CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL142126 OBDepict H 3 C N N S O N O N S N N H 3 C Ki = 0.61 nM 476.67 CN1CCC=C(c2nsnc2OCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 Homo sapiens CHEMBL744770 cell-based format
CHEMBL561870 OBDepict O O HO H + N O _ Br IC50 = 0.63 nM 550.49 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL524097 OBDepict OH + N O _ Br Ki = 0.64 nM 508.5 OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2.[Br-] Homo sapiens CHEMBL1015370 cell-based format
CHEMBL4649201 OBDepict O NH O F HN Cl Cl Ki = 0.66 nM 397.28 O=C(Nc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)OCC1CCNCC1 Homo sapiens CHEMBL4605225 cell-based format
CHEMBL2114068 OBDepict CH 3 O + S _ O CH 2 N Ki = 0.68 nM 423.62 C=C(c1ccc([S@@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL744922 single protein format
CHEMBL139603 OBDepict H 3 C N N S S N S N S N N H 3 C Ki = 0.69 nM 592.97 CN1CCC=C(c2nsnc2SCCCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 Homo sapiens CHEMBL744770 cell-based format
CHEMBL4643867 OBDepict O O N H H N F Cl Cl Ki = 0.73 nM 409.29 O=C(Nc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)O[C@H]1CN2CCC1CC2 Homo sapiens CHEMBL4605225 cell-based format
CHEMBL4639307 OBDepict _ O O F F F O O NH H + N CH 3 F Ki = 0.75 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 CHEMBL4605225 cell-based format
CHEMBL1779037 OBDepict CH 3 N O O H N IC50 = 0.8 nM 316.45 CCCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 Homo sapiens CHEMBL1781312 cell-based format
CHEMBL1779041 OBDepict H 3 C N O O S H N IC50 = 0.8 nM 322.47 CCCCN(Cc1cccs1)C(=O)O[C@H]1CN2CCC1CC2 Homo sapiens CHEMBL1781312 cell-based format
CHEMBL549986 OBDepict O O HO S H + N O _ Br IC50 = 0.81 nM 550.56 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1cccs1)C1CCCC1.[Br-] Homo sapiens CHEMBL1058940 cell-based format
CHEMBL1123 OBDepict CH 3 N CH 3 O O Ki = 0.834 nM 309.49 CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1 Homo sapiens CHEMBL1909170 cell membrane format
CHEMBL143469 OBDepict H 3 C N N S O N O N S N N H 3 C Ki = 0.84 nM 518.75 CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 Homo sapiens CHEMBL744770 cell-based format
CHEMBL341759 OBDepict H 3 C N N S S N S N S N N H 3 C Ki = 0.87 nM 508.81 CN1CCC=C(c2nsnc2SCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 Homo sapiens CHEMBL744770 cell-based format
CHEMBL146567 OBDepict CH 3 N HN O HO H F F Ki = 0.88 nM 442.55 Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 Homo sapiens CHEMBL744762 cell-based format
CHEMBL37372 OBDepict CH 3 N H 3 C O O CH 3 HO Ki = 0.881 nM 341.45 CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 Homo sapiens CHEMBL2380035 cell-based format
CHEMBL1779046 OBDepict F N O O H N F F F IC50 = 0.9 nM 408.39 O=C(O[C@H]1CN2CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1 Homo sapiens CHEMBL1781312 cell-based format
CHEMBL3401641 OBDepict O N H OH S S H N IC50 = 0.9 nM 348.49 O=C(N[C@H]1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1 Homo sapiens CHEMBL3406978 cell-based format
CHEMBL142184 OBDepict CH 3 N N S S N S N S N N CH 3 Ki = 0.93 nM 480.75 CN1CCC=C(c2nsnc2SCCCCSc2nsnc2C2=CCCN(C)C2)C1 Homo sapiens CHEMBL744770 cell-based format
CHEMBL4643643 OBDepict O O HN H H N H H 3 C F Ki = 0.93 nM 354.43 CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)Nc1ccc(F)cc1-c1ccccc1)C2 Homo sapiens CHEMBL4605225 cell-based format
CHEMBL42 OBDepict H 3 C N N N NH Cl Ki = 0.98 nM 326.83 CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 Homo sapiens CHEMBL744772 single protein format
CHEMBL71431 OBDepict H 2 N N O OH Ki = 0.98 nM 302.42 NC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 Homo sapiens CHEMBL744769 cell-based format
CHEMBL10272 OBDepict O N H O N IC50 < 1.0 nM 362.47 O=C1CCC(c2ccccc2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1 Homo sapiens CHEMBL1003788 single protein format
CHEMBL3401648 OBDepict O N H OH S S H + N _ Br IC50 = 1.0 nM 547.58 O=C(N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL3406978 cell-based format
CHEMBL1779032 OBDepict O N O H N IC50 = 1.0 nM 350.46 O=C(O[C@H]1CN2CCC1CC2)N(CCc1ccccc1)c1ccccc1 Homo sapiens CHEMBL1781312 cell-based format
CHEMBL10309 OBDepict O N H O N Br IC50 < 1.0 nM 441.37 O=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 Homo sapiens CHEMBL1003788 single protein format
CHEMBL3401649 OBDepict O N H HO S S H + N S _ Br IC50 = 1.0 nM 553.61 O=C(N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL3406978 cell-based format
CHEMBL1779045 OBDepict CH 3 N O O H F N F F IC50 = 1.0 nM 404.43 Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2CN3CCC2CC3)c1 Homo sapiens CHEMBL1781312 cell-based format
CHEMBL495531 OBDepict O N H O F N F Br IC50 < 1.0 nM 477.35 O=C1CCC(c2ccc(F)cc2F)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 Homo sapiens CHEMBL1003788 single protein format
CHEMBL1231 OBDepict H 3 C N CH 3 O O HO Ki = 1.0 nM 357.49 CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1 Homo sapiens CHEMBL891645 cell-based format
CHEMBL443267 OBDepict NH 2 CH 3 N O HO H F F Ki = 1.0 nM 394.51 CCC1(CCN)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 Homo sapiens CHEMBL744769 cell-based format
CHEMBL1779036 OBDepict H 3 C N O O H N IC50 = 1.1 nM 302.42 CCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 Homo sapiens CHEMBL1781312 cell-based format
CHEMBL4639938 OBDepict O O NH H H N H CH 3 H O H F Ki = 1.1 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 CHEMBL4605225 cell-based format
CHEMBL4645235 OBDepict O NH O F + N Cl H 3 C H 3 C F _ O O Ki = 1.1 nM 454.9 C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1.O=C[O-] Homo sapiens CHEMBL4605225 cell-based format
CHEMBL76897 OBDepict O O + N CH 3 CH 3 _ I Ki = 1.1 nM 451.35 C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1.[I-] Homo sapiens CHEMBL2395096 cell-based format
CHEMBL562655 OBDepict O O HO H + N _ Br IC50 = 1.12 nM 520.47 O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21.[Br-] Homo sapiens CHEMBL1058940 cell-based format