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P08172 | ACM2_HUMAN | Muscarinic acetylcholine receptor M2 (CHRM2)

3D structures mapped by conservation among orthologs

[ Domain: "Lysozyme-like" // Cytochrom_B562_1 ]

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[ 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
CHEMBL349497 OBDepict H CH 3 N N H 3 C H S O O O O Ki = 0.03 nM 470.64 C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCCCC2)C[C@H]1C Homo sapiens CHEMBL747482 single protein format
CHEMBL164705 OBDepict H CH 3 N N CH 3 H S O O O O Ki = 0.03 nM 470.64 C[C@@H]1CN(C2CCCCC2)CCN1[C@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1 Homo sapiens CHEMBL747482 single protein format
CHEMBL2114068 OBDepict CH 3 O + S _ O CH 2 N Ki = 0.03 nM 423.62 C=C(c1ccc([S@@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL747619 single protein format
CHEMBL350956 OBDepict CH 3 O S O O N CH 3 H N H CH 3 Ki = 0.04 nM 456.65 COc1ccc(S(=O)(=O)c2ccc([C@@H](C)N3CCN(C4CCCCC4)[C@@H](C)C3)cc2)cc1 Homo sapiens CHEMBL747482 single protein format
CHEMBL12980 OBDepict O O HO N Ki = 0.045 nM 337.42 O=C(OC1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL752398 single protein format
CHEMBL1910848 OBDepict H 2 N O N CH 3 CH 3 O Ki = 0.056 nM 428.58 CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2ccccc2)C1 Homo sapiens CHEMBL1913619 cell-based format
CHEMBL2115128 OBDepict CH 3 O + S _ O CH 2 N Ki = 0.057 nM 423.62 C=C(c1ccc([S@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL747619 single protein format
CHEMBL556635 OBDepict O O HO S H + N O _ Br Ki = 0.06 nM 550.56 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1.[Br-] Homo sapiens CHEMBL1058947 single protein format
CHEMBL94189 OBDepict CH 3 O N O N O O S O O O O Ki = 0.073 nM 572.68 CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1 Homo sapiens CHEMBL745479 cell-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 CHEMBL1058947 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 CHEMBL1058947 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 = 0.1 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 CHEMBL1058947 single protein format
CHEMBL2023764 OBDepict H 2 C + N CH 3 N _ Br Ki = 0.1 nM 493.53 C=CCCCC[N+]1(C)C2CCC1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2.[Br-] Homo sapiens CHEMBL2026109 cell-based format
CHEMBL4519930 OBDepict Cl + N O O OH _ Br Ki = 0.11 nM 570.96 O=C(OC1C[N+]2(CCCc3ccc(Cl)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1.[Br-] Homo sapiens CHEMBL4390204 cell-based format
CHEMBL94247 OBDepict CH 3 O N O N S S S O O O H 3 C Ki = 0.11 nM 590.83 CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)SCCS3)CC2)CC1 Homo sapiens CHEMBL745479 cell-based format
CHEMBL308566 OBDepict H 3 C O N O N CH 2 S O O O H 3 C Ki = 0.11 nM 512.67 C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC)CC2)CC1 Homo sapiens CHEMBL748897 cell-based format
CHEMBL234440 OBDepict CH 3 N H 3 C N H O O Cl Cl O Ki = 0.12 nM 403.35 CN(C)C1(CNCCC2CCOCC2)COc2cc(Cl)c(Cl)cc2OC1 Homo sapiens CHEMBL891646 cell-based format
CHEMBL91404 OBDepict H 3 C O N O N O S O O O O Ki = 0.13 nM 528.63 CCOC(=O)N1CCC(N2CCC(C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 Homo sapiens CHEMBL745479 cell-based format
CHEMBL1910856 OBDepict HO O N CH 3 H 3 C O H 2 N Ki = 0.137 nM 444.58 CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1 Homo sapiens CHEMBL1913682 cell-based format
CHEMBL556635 OBDepict O O HO S H + N O _ Br IC50 = 0.14 nM 550.56 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1.[Br-] Homo sapiens CHEMBL1058941 cell-based format
CHEMBL71124 OBDepict H 3 C O + S _ O CH 3 N Ki = 0.14 nM 425.64 COc1ccc([S+]([O-])c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1 Homo sapiens CHEMBL747619 single protein format
CHEMBL164762 OBDepict CH 3 O S O O N CH 3 H N H CH 3 Ki = 0.14 nM 456.65 COc1ccc(S(=O)(=O)c2ccc([C@@H](C)N3CCN(C4CCCCC4)[C@H](C)C3)cc2)cc1 Homo sapiens CHEMBL747482 single protein format
CHEMBL424530 OBDepict CH 3 O S O O N CH 3 H H CH 3 N Ki = 0.15 nM 456.65 COc1ccc(S(=O)(=O)c2ccc([C@@H](C)N3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1 Homo sapiens CHEMBL747482 single protein format
CHEMBL1201024 OBDepict HO H O O H H + N H H O CH 3 CH 3 H _ Br Ki = 0.15 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 CHEMBL1909171 cell membrane format
CHEMBL523299 OBDepict OH + N O _ Br Ki = 0.15 nM 508.5 OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2.[Br-] Homo sapiens CHEMBL1015371 cell-based format
CHEMBL352739 OBDepict N N H H 3 C N S O O O H 3 C Ki = 0.16 nM 467.64 COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1 Homo sapiens CHEMBL748903 single protein format
CHEMBL328059 OBDepict CH 3 O N O N O O S O O O H 3 C Ki = 0.16 nM 558.7 CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1 Homo sapiens CHEMBL745479 cell-based format
CHEMBL73893 OBDepict CH 3 O S O O H 2 C N N S O O CH 3 CH 3 Ki = 0.16 nM 546.76 C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)C(C)C)CC2)CC1 Homo sapiens CHEMBL748901 cell-based format
CHEMBL37372 OBDepict CH 3 N H 3 C O O CH 3 HO Ki = 0.165 nM 341.45 CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 Homo sapiens CHEMBL2380034 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 CHEMBL1058941 cell-based format
CHEMBL2103803 OBDepict H H + N H N CH 3 CH 3 _ Br Ki = 0.17 nM 425.41 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2.[Br-] Homo sapiens CHEMBL1786276 cell-based format
CHEMBL71147 OBDepict CH 3 O S O O H 2 C N Ki = 0.17 nM 439.62 C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL748901 cell-based format
CHEMBL556222 OBDepict O O HO S H + N O _ Br IC50 = 0.17 nM 558.54 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1.[Br-] Homo sapiens CHEMBL1058941 cell-based format
CHEMBL551327 OBDepict O O HO S S H + N O _ Br IC50 = 0.18 nM 564.57 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccsc1)c1ccsc1.[Br-] Homo sapiens CHEMBL1058941 cell-based format
CHEMBL564057 OBDepict O O OH S S H + N _ Br IC50 = 0.18 nM 534.54 O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058941 cell-based format
CHEMBL312085 OBDepict CH 3 N N S O O Ki = 0.2 nM 412.6 CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL748899 single protein format
CHEMBL435849 OBDepict H 3 C S N O O N N H H 3 C H 3 C H S O O O O Ki = 0.2 nM 591.8 CCCCS(=O)(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 Homo sapiens CHEMBL747482 single protein format
CHEMBL165377 OBDepict H 3 C N O N N H CH 3 CH 3 H S O O O O Ki = 0.2 nM 589.76 Cc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 Homo sapiens CHEMBL748900 single protein format
CHEMBL165375 OBDepict CH 3 S N O O N N H H 3 C H 3 C H S O O O O Ki = 0.2 nM 577.77 CCCS(=O)(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 Homo sapiens CHEMBL747482 single protein format
CHEMBL174070 OBDepict CH 3 S N O N O S O O O O Ki = 0.2 nM 568.72 Cc1ccsc1C(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 Homo sapiens CHEMBL748897 cell-based format
CHEMBL370232 OBDepict CH 3 O N HO S S Ki = 0.2 nM 359.52 CO[C@]1(C#CC(O)(c2cccs2)c2cccs2)CN2CCC1CC2 Homo sapiens CHEMBL863986 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 IC50 = 0.21 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 CHEMBL1058941 cell-based format
CHEMBL564747 OBDepict O O OH S H N IC50 = 0.21 nM 343.45 O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1 Homo sapiens CHEMBL1058941 cell-based format
CHEMBL562642 OBDepict O O OH S H N IC50 = 0.23 nM 335.47 O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 Homo sapiens CHEMBL1058941 cell-based format
CHEMBL74117 OBDepict CH 3 O S O O CH 2 N N O Ki = 0.26 nM 508.68 C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C3CC3)CC2)CC1 Homo sapiens CHEMBL748901 cell-based format
CHEMBL551729 OBDepict O O OH S S H N IC50 = 0.26 nM 349.48 O=C(O[C@H]1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1 Homo sapiens CHEMBL1058941 cell-based format
CHEMBL556426 OBDepict O O OH S H N IC50 = 0.26 nM 343.45 O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1ccccc1)c1cccs1 Homo sapiens CHEMBL1058941 cell-based format
CHEMBL556221 OBDepict O O CH 3 H O + N O _ Br IC50 = 0.27 nM 564.52 CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc21.[Br-] Homo sapiens CHEMBL1058941 cell-based format
CHEMBL421113 OBDepict CH 3 S N O O N H 2 C S O O O CH 3 Ki = 0.29 nM 546.76 C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCC)CC2)CC1 Homo sapiens CHEMBL748897 cell-based format
CHEMBL165439 OBDepict CH 3 O S O O N H CH 3 N Ki = 0.3 nM 442.63 COc1ccc(S(=O)(=O)c2ccc(CN3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1 Homo sapiens CHEMBL747482 single protein format
CHEMBL440491 OBDepict H 3 C O S O O CH 2 N N O O CH 3 H 3 C Ki = 0.3 nM 540.73 C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC(C)C)CC2)CC1 Homo sapiens CHEMBL748901 cell-based format
CHEMBL163777 OBDepict CH 3 O S O O N CH 3 H H CH 3 N Ki = 0.3 nM 456.65 COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1 Homo sapiens CHEMBL747482 single protein format
CHEMBL564765 OBDepict O O HO S H + N O _ Br IC50 = 0.31 nM 558.54 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1ccccc1)c1cccs1.[Br-] Homo sapiens CHEMBL1058941 cell-based format
CHEMBL517712 OBDepict OH O O H H N H H 3 C Ki = 0.344 nM 289.37 CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 Homo sapiens CHEMBL745519 single protein format
CHEMBL551063 OBDepict O O S S H + N O _ Br IC50 = 0.35 nM 548.57 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058941 cell-based format
CHEMBL72408 OBDepict H 3 C O N O N CH 2 S O O O H 3 C Ki = 0.35 nM 540.73 C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCCC)CC2)CC1 Homo sapiens CHEMBL748901 cell-based format
CHEMBL549784 OBDepict H 3 C + N H O O HO S S _ Br IC50 = 0.36 nM 528.58 CCCCCCC[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2.[Br-] Homo sapiens CHEMBL1058941 cell-based format
CHEMBL562890 OBDepict O O HO H O + N O _ Br IC50 = 0.36 nM 566.49 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21.[Br-] Homo sapiens CHEMBL1058941 cell-based format
CHEMBL72494 OBDepict CH 3 O S O O H 2 C N N S O O Ki = 0.36 nM 580.77 C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 Homo sapiens CHEMBL748901 cell-based format
CHEMBL70828 OBDepict CH 3 O S CH 2 N Ki = 0.37 nM 407.62 C=C(c1ccc(Sc2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL747619 single protein format
CHEMBL554725 OBDepict O O OH S S H + N _ Br IC50 = 0.38 nM 562.6 O=C(O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058941 cell-based format
CHEMBL72363 OBDepict H 3 C S N O O N H 2 C S O O O CH 3 Ki = 0.38 nM 560.78 C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCCC)CC2)CC1 Homo sapiens CHEMBL748901 cell-based format
CHEMBL72551 OBDepict H 3 C N O N CH 2 S O O O H 3 C Ki = 0.38 nM 510.7 C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CCC)CC2)CC1 Homo sapiens CHEMBL748901 cell-based format
CHEMBL558910 OBDepict H O N O OH IC50 = 0.4 nM 337.42 O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL1058941 cell-based format
CHEMBL165035 OBDepict CH 3 S O O N H 3 C H H CH 3 N N O H 3 C Ki = 0.4 nM 559.78 Cc1cccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c1 Homo sapiens CHEMBL748900 single protein format
CHEMBL200401 OBDepict CH 3 O N HO S S Ki = 0.4 nM 359.52 CO[C@]1(C#CC(O)(c2ccsc2)c2ccsc2)CN2CCC1CC2 Homo sapiens CHEMBL863986 single protein format
CHEMBL170298 OBDepict O N CH 3 H 3 C N O S O O O O Ki = 0.4 nM 576.72 Cc1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)CC3)CC2)c1C Homo sapiens CHEMBL748897 cell-based format
CHEMBL4457734 OBDepict O O HO + N S _ Br Ki = 0.4 nM 554.55 O=C(OC1C[N+]2(CCSc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1.[Br-] Homo sapiens CHEMBL4390204 cell-based format
CHEMBL72957 OBDepict H 3 C O S O O CH 2 N N O O H 3 C CH 3 Ki = 0.41 nM 526.7 C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC(C)C)CC2)CC1 Homo sapiens CHEMBL748901 cell-based format
CHEMBL1201024 OBDepict HO H O O H H + N H H O CH 3 CH 3 H _ Br IC50 = 0.422 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 CHEMBL1909171 cell membrane format
CHEMBL551731 OBDepict O O HO H + N O _ Br IC50 = 0.44 nM 552.51 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1.[Br-] Homo sapiens CHEMBL1058941 cell-based format
CHEMBL3289390 OBDepict O O OH H + N CH 3 CH 3 _ Br Ki = 0.45 nM 420.35 C[N+]1(C)CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-] Homo sapiens CHEMBL3293104 cell-based format
CHEMBL70860 OBDepict H 3 C O S O O CH 2 N N O O Ki = 0.45 nM 574.74 C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1 Homo sapiens CHEMBL748901 cell-based format
CHEMBL560327 OBDepict O O OH S S H + N CH 3 _ Br IC50 = 0.46 nM 444.42 C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2.[Br-] Homo sapiens CHEMBL1058941 cell-based format
CHEMBL73245 OBDepict CH 3 O S O O H 2 C N N S O O CH 3 Ki = 0.46 nM 532.73 C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CC)CC2)CC1 Homo sapiens CHEMBL748901 cell-based format
CHEMBL287868 OBDepict H 3 C N O O CH 3 Ki = 0.472 nM 349.47 CN1CC2CC(OC(=O)C(C)(c3ccccc3)c3ccccc3)CC1C2 Homo sapiens CHEMBL879274 cell-based format
CHEMBL4450188 OBDepict F + N O O OH _ Br Ki = 0.49 nM 554.5 O=C(OC1C[N+]2(CCCc3ccc(F)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1.[Br-] Homo sapiens CHEMBL4390204 cell-based format
CHEMBL4440620 OBDepict O O OH S S H H + N H H O H 3 C H 3 C H _ Br Ki = 0.49 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 CHEMBL4390204 cell-based format
CHEMBL351079 OBDepict NH 2 N O N N H CH 3 H 3 C H S O O O O Ki = 0.5 nM 590.75 C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3N)CC2)C[C@H]1C Homo sapiens CHEMBL748900 single protein format
CHEMBL170033 OBDepict O N N O S O O O O Ki = 0.5 nM 598.72 O=C(c1cccc2ccccc12)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 Homo sapiens CHEMBL748897 cell-based format
CHEMBL355511 OBDepict O N N N O S O O O O Ki = 0.5 nM 599.71 O=C(c1cccc2ncccc12)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 Homo sapiens CHEMBL748897 cell-based format
CHEMBL554699 OBDepict O O OH S H N IC50 = 0.54 nM 335.47 O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1cccs1)C1CCCC1 Homo sapiens CHEMBL1058941 cell-based format
CHEMBL564515 OBDepict O O OH H O + N _ Br IC50 = 0.54 nM 536.47 O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21.[Br-] Homo sapiens CHEMBL1058941 cell-based format
CHEMBL74352 OBDepict H 3 C O N O N CH 2 S O O O H 3 C Ki = 0.59 nM 526.7 C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCC)CC2)CC1 Homo sapiens CHEMBL748901 cell-based format
CHEMBL3401648 OBDepict O N H OH S S H + N _ Br IC50 = 0.6 nM 547.58 O=C(N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL3406979 cell-based format
CHEMBL3401649 OBDepict O N H HO S S H + N S _ Br IC50 = 0.6 nM 553.61 O=C(N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL3406979 cell-based format
CHEMBL310912 OBDepict CH 3 O S O O N H 3 C N Ki = 0.6 nM 442.63 COc1ccc(S(=O)(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 Homo sapiens CHEMBL747482 single protein format
CHEMBL75448 OBDepict H 3 C N N S O O Cl Ki = 0.6 nM 447.04 CC(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL748899 single protein format
CHEMBL394137 OBDepict CH 3 N H 3 C NH O O Ki = 0.66 nM 384.56 CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1 Homo sapiens CHEMBL891646 cell-based format
CHEMBL1724 OBDepict O O OH + N CH 3 H 3 C _ Br Ki = 0.68 nM 420.35 C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-] Homo sapiens CHEMBL3293104 cell-based format
CHEMBL4461243 OBDepict O O HO + N O _ Br Ki = 0.68 nM 552.51 O=C(OC1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1.[Br-] Homo sapiens CHEMBL4390204 cell-based format
CHEMBL4436930 OBDepict F + N O O OH _ Br Ki = 0.69 nM 554.5 O=C(OC1C[N+]2(CCCc3cccc(F)c3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1.[Br-] Homo sapiens CHEMBL4390204 cell-based format
CHEMBL163714 OBDepict CH 3 S N O O N N H H 3 C H 3 C H S O O O O Ki = 0.7 nM 563.74 CCS(=O)(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 Homo sapiens CHEMBL747482 single protein format
CHEMBL11892 OBDepict H 3 C O O S N N O Ki = 0.7 nM 516.71 COC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 Homo sapiens CHEMBL748902 cell-based format
CHEMBL433011 OBDepict H 3 C O N O N O O S O O O H 3 C Ki = 0.72 nM 572.72 CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCCO3)CC2)CC1 Homo sapiens CHEMBL745479 cell-based format
CHEMBL4448944 OBDepict O O HO + N _ Br Ki = 0.72 nM 536.51 O=C(OC1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1.[Br-] Homo sapiens CHEMBL4390204 cell-based format
CHEMBL561187 OBDepict O O H 3 C S S H + N O _ Br IC50 = 0.73 nM 562.6 CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1.[Br-] Homo sapiens CHEMBL1058941 cell-based format
CHEMBL3084413 OBDepict H S S H + N H CH 3 CH 3 _ Br Ki = 0.73 nM 410.45 C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C=C(c1cccs1)c1cccs1)C2.[Br-] Homo sapiens CHEMBL1786276 cell-based format
CHEMBL374452 OBDepict O HN N + N CH 3 Ki = 0.73 nM 440.61 C[N+]1(CCCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 Homo sapiens CHEMBL913820 cell-based format
CHEMBL200171 OBDepict CH 3 O N OH N Ki = 0.79 nM 348.45 CO[C@]1(C#C[C@@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 Homo sapiens CHEMBL863986 single protein format