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P37288 | V1AR_HUMAN | Vasopressin V1a receptor (AVPR1A)

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
CHEMBL1083094 OBDepict O N H H 3 C CH 3 CH 3 CH 3 Ki = 0.05 nM 347.5 Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 Homo sapiens CHEMBL1120488 single protein format
CHEMBL1084823 OBDepict O N H H 3 C H 3 C CH 3 CH 3 CH 3 Ki = 0.06 nM 361.53 Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1C Homo sapiens CHEMBL1120488 single protein format
CHEMBL1084008 OBDepict CH 3 O N O N H H H 3 C H 3 C H 3 C Ki = 0.1 nM 402.54 COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1c[nH]c2ccccc12 Homo sapiens CHEMBL1120488 single protein format
CHEMBL1086272 OBDepict Cl N O CH 3 H H 3 C CH 3 CH 3 Ki = 0.31 nM 381.95 Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 Homo sapiens CHEMBL1120488 single protein format
CHEMBL1084325 OBDepict H 3 C O N O HN H CH 3 O CH 3 CH 3 CH 3 Ki = 0.37 nM 420.55 COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc(NC(C)=O)c1 Homo sapiens CHEMBL1120488 single protein format
CHEMBL1755 OBDepict O N H N O N N H CH 3 Ki = 0.43 nM 498.59 Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2 Homo sapiens CHEMBL1120488 single protein format
CHEMBL4759005 OBDepict CH N N N N N Ki = 0.45 nM 369.47 C#Cc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 Homo sapiens CHEMBL4669220 cell-based format
CHEMBL3416881 OBDepict Cl N N O N O H 3 C CH 3 O Ki = 0.5 nM 451.95 CN(C)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 Homo sapiens CHEMBL3419315 cell-based format
CHEMBL1084825 OBDepict H 3 C O N O Cl CH 3 H H 3 C CH 3 CH 3 Ki = 0.54 nM 411.97 COc1cc(-c2ccccc2C)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 Homo sapiens CHEMBL1120488 single protein format
CHEMBL4756031 OBDepict Br N N N H H N O CH 3 Ki = 0.6 nM 427.35 Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Br)cc3CCC4)CC2)no1 Homo sapiens CHEMBL4669220 cell-based format
CHEMBL4778087 OBDepict Cl N H N O N O N CH 3 Ki = 0.6 nM 467.01 Cc1ccccc1N1CCN(C(=O)N2C[C@@H](C(=O)N3CCCC3)Cc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4669220 cell-based format
CHEMBL1083731 OBDepict H 3 C O N O H 3 C CH 3 H H 3 C H 3 C H 3 C Ki = 0.6 nM 391.56 COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1c(C)cccc1C Homo sapiens CHEMBL1120488 single protein format
CHEMBL4799412 OBDepict Br N N N H H O N Ki = 0.6 nM 439.36 Brc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 Homo sapiens CHEMBL4669220 cell-based format
CHEMBL4756212 OBDepict O H N N O Cl N CH 3 Ki = 0.6 nM 466.03 Cc1ccccc1N1CCN(C(=O)N2C[C@@H](C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL4746716 OBDepict Br N N N N N Ki = 0.7 nM 424.35 Brc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 Homo sapiens CHEMBL4669220 cell-based format
CHEMBL4756737 OBDepict Cl N N N H H N O CH 3 Ki = 0.7 nM 382.9 Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3CCC4)CC2)no1 Homo sapiens CHEMBL4669220 cell-based format
CHEMBL4297183 OBDepict H 3 C N N N N Cl H H O N Ki = 0.7 nM 409.92 CN1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1 Homo sapiens CHEMBL4669220 cell-based format
CHEMBL1086070 OBDepict H 3 C O N O N H CH 3 CH 3 CH 3 Ki = 0.71 nM 414.55 COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2cccnc12 Homo sapiens CHEMBL1120488 single protein format
CHEMBL1083703 OBDepict CH 3 O N O S H H 3 C H 3 C H 3 C Ki = 0.79 nM 419.59 COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1csc2ccccc12 Homo sapiens CHEMBL1120488 single protein format
CHEMBL4799793 OBDepict Cl N N N H H O N Ki = 0.8 nM 394.91 Clc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 Homo sapiens CHEMBL4669220 cell-based format
CHEMBL1085299 OBDepict H 3 C O N O H H 3 C CH 3 CH 3 CH 3 Ki = 0.8 nM 377.53 COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(C)cc1 Homo sapiens CHEMBL1120488 single protein format
CHEMBL4759676 OBDepict Cl N N N O O N CH 3 Ki = 1.0 nM 467.01 Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL3416868 OBDepict CH 3 N N O N N O Cl O Ki = 1.0 nM 507.03 CN1CCN(C(=O)Cn2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 Homo sapiens CHEMBL3419315 cell-based format
CHEMBL3416883 OBDepict CH 3 N H N N O Cl O Ki = 1.0 nM 464.01 CN1CCC[C@H]1Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 Homo sapiens CHEMBL3419315 cell-based format
CHEMBL3416885 OBDepict H 3 C N CH 3 N N O Cl O Ki = 1.0 nM 437.97 CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 Homo sapiens CHEMBL3419315 cell-based format
CHEMBL4075127 OBDepict O N H CH 3 N O H OH Ki = 1.03 nM 400.48 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3ccccc32)cc1 Homo sapiens CHEMBL4015769 cell-based format
CHEMBL1086294 OBDepict CH 3 O N O H N H O H 3 C CH 3 H 3 C H 3 C Ki = 1.03 nM 420.55 CNC(=O)c1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2OC)c1 Homo sapiens CHEMBL1120488 single protein format
CHEMBL89552 OBDepict CH 3 N N O N H 3 C N N Ki = 1.04 nM 509.7 Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCN(C)CC1 Homo sapiens CHEMBL820276 cell-based format
CHEMBL86949 OBDepict H 3 C N N N O N N Ki = 1.05 nM 577.82 Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCC(N2CCCCC2)CC1 Homo sapiens CHEMBL820276 cell-based format
CHEMBL1082493 OBDepict CH 3 O N O Cl N H H 3 C H 3 C H 3 C Ki = 1.07 nM 398.93 COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccnc1Cl Homo sapiens CHEMBL1120488 single protein format
CHEMBL4128926 OBDepict OH O H H N H O N S S HN O O CH 3 CH 3 CH 3 IC50 = 1.1 nM 583.78 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 Homo sapiens CHEMBL4121508 single protein format
CHEMBL3416882 OBDepict Cl N N O H HN O Ki = 1.4 nM 449.98 O=C(c1cn(C[C@@H]2CCCN2)c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 Homo sapiens CHEMBL3419315 cell-based format
CHEMBL4778839 OBDepict Cl N N N N N Ki = 1.4 nM 379.89 Clc1ccc2c(c1)CCCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 Homo sapiens CHEMBL4669220 cell-based format
CHEMBL4751140 OBDepict Cl NH N O N N Ki = 1.4 nM 356.86 O=C(C1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21 Homo sapiens CHEMBL4669220 cell-based format
CHEMBL2112339 OBDepict H 3 C N N O N CH 3 H 3 C N N Ki = 1.46 nM 523.73 Cc1cccc(OCCCCCCN2CCN(C)CC2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL820276 cell-based format
CHEMBL118271 OBDepict O N H CH 3 N O OH Ki = 1.58 nM 400.48 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3ccccc32)cc1 Homo sapiens CHEMBL4015769 cell-based format
CHEMBL4786172 OBDepict CH 3 O N H H N N N Ki = 1.6 nM 348.45 Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)no1 Homo sapiens CHEMBL4669220 cell-based format
CHEMBL4104877 OBDepict O N H CH 3 N O H OH Ki = 1.85 nM 400.48 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3ccccc32)cc1 Homo sapiens CHEMBL4015769 cell-based format
CHEMBL424663 OBDepict H 3 C N O N IC50 = 2.0 nM 378.48 Cc1ccc(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 Homo sapiens CHEMBL880663 single protein format
CHEMBL389581 OBDepict O O N O O H H 3 C CH 3 H 3 C H N O O H O IC50 = 2.0 nM 556.62 CC(C)(C)C(=O)C(C(=O)OCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccco1 Homo sapiens CHEMBL891881 cell-based format
CHEMBL4798542 OBDepict Cl N N CH 3 N O N N Cl Ki = 2.0 nM 406.32 CN1CCN(C(=O)N2CCN(c3ncccc3Cl)CC2)c2ccc(Cl)cc21 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL3416869 OBDepict CH 3 N CH 3 N H O N N O Cl O Ki = 2.0 nM 495.02 CN(C)CCNC(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 Homo sapiens CHEMBL3419315 cell-based format
CHEMBL3416860 OBDepict O N CH 3 N O Ki = 2.0 nM 436.56 Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccccc2n1Cc1ccccc1 Homo sapiens CHEMBL3419315 cell-based format
CHEMBL4796133 OBDepict Cl HN N N O N N CH 3 Ki = 2.0 nM 371.87 Cc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL4094707 OBDepict O N H 3 C H HO N H O CH 3 Ki = 2.06 nM 414.51 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3c(C)cccc32)cc1 Homo sapiens CHEMBL4015769 cell-based format
CHEMBL432375 OBDepict CH 3 N N N O NH Ki = 2.12 nM 466.63 Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCC1CCNCC1 Homo sapiens CHEMBL820276 cell-based format
CHEMBL1083444 OBDepict CH 3 O N O CH 3 H Cl H 3 C H 3 C H 3 C Ki = 2.26 nM 411.97 COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Cl)cc1C Homo sapiens CHEMBL1120488 single protein format
CHEMBL4210854 OBDepict O N Ki = 2.28 nM 327.43 O=C(c1ccc(-c2ccccc2)cc1)N1CCCCc2ccccc21 Homo sapiens CHEMBL4201599 cell-based format
CHEMBL4790089 OBDepict O H N N O Cl N CH 3 Ki = 2.3 nM 466.03 Cc1ccccc1N1CCN(C(=O)N2C[C@H](C(=O)C3CCCC3)Cc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL4741178 OBDepict H O N H N N N Ki = 2.3 nM 360.46 c1ccc(O[C@H]2CC[C@H](c3nnc4n3-c3ccccc3CCC4)CC2)nc1 Homo sapiens CHEMBL4669220 cell-based format
CHEMBL519240 OBDepict NH 2 N N N O H NH H Ki = 2.4 nM 327.43 Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 Homo sapiens CHEMBL947392 single protein format
CHEMBL1086052 OBDepict H 3 C O N O H CH 3 CH 3 CH 3 Ki = 2.6 nM 439.6 COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1-c1ccccc1 Homo sapiens CHEMBL1120488 single protein format
CHEMBL4779447 OBDepict Cl N N N O O H 3 C CH 3 N CH 3 Ki = 2.6 nM 440.98 Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C(C)C)Cc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL603708 OBDepict O N H N O Ki = 2.74 nM 446.55 O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL1065233 cell-based format
CHEMBL1086053 OBDepict H 3 C O N O CH 3 Cl H CH 3 CH 3 CH 3 Ki = 2.75 nM 411.97 COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cc(Cl)ccc1C Homo sapiens CHEMBL1120488 single protein format
CHEMBL4064556 OBDepict O N H H 3 C N O CH 3 H HO Ki = 2.84 nM 414.51 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cccc(C)c32)cc1 Homo sapiens CHEMBL4015769 cell-based format
CHEMBL381248 OBDepict O N N IC50 = 3.0 nM 364.45 O=C(c1ccc(-c2ccccc2)cc1)N1Cc2cccn2Cc2ccccc21 Homo sapiens CHEMBL880663 single protein format
CHEMBL4776471 OBDepict Cl HN N N O CH 3 Ki = 3.0 nM 369.9 Cc1ccccc1C1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL4758331 OBDepict Cl N N N O O N CH 3 Ki = 3.0 nM 474.99 Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)c3ccccc3)Cc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL4762200 OBDepict CH 3 N N N O Cl N CH 3 Ki = 3.0 nM 384.91 Cc1ccccc1N1CCN(C(=O)N2CN(C)Cc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL4758799 OBDepict Cl N HN N O N CH 3 Ki = 3.0 nM 370.88 Cc1ccccc1N1CCN(C(=O)N2CNCc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL86577 OBDepict CH 3 N N O O N CH 3 N N Ki = 3.03 nM 543.67 Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCc1ccc(C(=O)N2CCN(C)CC2)cc1 Homo sapiens CHEMBL820276 cell-based format
CHEMBL4789306 OBDepict Cl N N N O O N CH 3 Ki = 3.3 nM 438.96 Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3CC3)Cc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL1084801 OBDepict CH 3 O S N O H CH 3 CH 3 H 3 C Ki = 3.78 nM 419.59 COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cc2ccccc2s1 Homo sapiens CHEMBL1120488 single protein format
CHEMBL1085301 OBDepict CH 3 O N O O H H 3 C H 3 C H 3 C Ki = 3.8 nM 403.52 COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1coc2ccccc12 Homo sapiens CHEMBL1120488 single protein format
CHEMBL519240 OBDepict NH 2 N N N O H NH H IC50 = 3.9 nM 327.43 Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 Homo sapiens CHEMBL947392 single protein format
CHEMBL1086293 OBDepict CH 3 O N O CH 3 H H 3 C H 3 C H 3 C Ki = 3.97 nM 377.53 COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc(C)c1 Homo sapiens CHEMBL1120488 single protein format
CHEMBL320416 OBDepict Cl N N O H N H O F F F IC50 = 4.0 nM 539.99 O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1C(F)(F)F Homo sapiens CHEMBL820272 single protein format
CHEMBL1788221 OBDepict CH 3 N H 3 C HN O N O NH O F IC50 = 4.0 nM 554.67 CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 Homo sapiens CHEMBL819417 single protein format
CHEMBL4785083 OBDepict Cl NH N N O O Ki = 4.0 nM 383.88 O=C(N1CCC2(CC1)OCc1ccccc12)N1CCNc2cc(Cl)ccc21 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL4744606 OBDepict OH N O N N O Cl N CH 3 Ki = 4.0 nM 428.92 Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)CO)Cc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL3416861 OBDepict Cl N H N O O Ki = 4.0 nM 366.85 O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ccccc12 Homo sapiens CHEMBL3419315 cell-based format
CHEMBL3416884 OBDepict H 3 C N N N O Cl O Ki = 4.0 nM 464.01 CN1CCC(n2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 Homo sapiens CHEMBL3419315 cell-based format
CHEMBL4760164 OBDepict Cl N N O N CH 3 Ki = 4.0 nM 369.9 Cc1ccccc1N1CCN(C(=O)N2CCCc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL109166 OBDepict OH NH O N O N H O F IC50 = 4.0 nM 527.6 O=C(NCCO)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 Homo sapiens CHEMBL819417 single protein format
CHEMBL3950716 OBDepict CH 3 O N N O N N N Cl N H Cl Cl IC50 = 4.0 nM 555.85 COc1ccc(Cn2c(-c3ccc(Cl)cc3)nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)cc1 Homo sapiens CHEMBL3887596 assay format
CHEMBL316736 OBDepict O N H N N O O N H O F IC50 = 4.0 nM 596.7 O=C(NCCN1CCOCC1)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 Homo sapiens CHEMBL819417 single protein format
CHEMBL4114132 OBDepict HO N H H O N N O N F F F HO H F F F Cl IC50 = 4.0 nM 566.89 O=C(Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)N[C@@H](CO)Cc1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3887485 assay format
CHEMBL86384 OBDepict CH 3 N N O N CH 3 N N Ki = 4.09 nM 495.67 Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCN1CCN(C)CC1 Homo sapiens CHEMBL820276 cell-based format
CHEMBL4787242 OBDepict Cl HN N N O N CH 3 Ki = 4.1 nM 370.88 Cc1ccccc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL3963751 OBDepict Cl N N N O N N F F F N H Cl Cl IC50 = 4.2 nM 531.75 O=c1n(Cc2nnc(Cc3c(Cl)cccc3Cl)[nH]2)nc(-c2ccc(Cl)cc2)n1CCC(F)(F)F Homo sapiens CHEMBL3887596 assay format
CHEMBL1083443 OBDepict H 3 C O N O H Cl CH 3 CH 3 CH 3 Ki = 4.42 nM 397.95 COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Cl)cc1 Homo sapiens CHEMBL1120488 single protein format
CHEMBL87887 OBDepict CH 3 N N O N CH 3 N N Ki = 4.5 nM 523.73 Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCN1CCN(C)CC1 Homo sapiens CHEMBL820276 cell-based format
CHEMBL4086079 OBDepict O N H H 3 C N O CH 3 H HO Ki = 4.68 nM 414.51 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3cccc(C)c32)cc1 Homo sapiens CHEMBL4015769 cell-based format
CHEMBL326225 OBDepict CH 3 N H 3 C NH O N O N H O CH 3 F IC50 = 5.0 nM 568.69 Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN(C)C)CC3)Cc3ccccc32)cc1 Homo sapiens CHEMBL819417 single protein format
CHEMBL249741 OBDepict H 3 C O N H N O O Cl F O OH IC50 = 5.0 nM 549.0 COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl Homo sapiens CHEMBL942873 cell-based format
CHEMBL389363 OBDepict O O N O O H H 3 C CH 3 H 3 C H N O O H IC50 = 5.0 nM 566.65 CC(C)(C)C(=O)C(C(=O)OCc1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 Homo sapiens CHEMBL891881 cell-based format
CHEMBL105961 OBDepict Cl N N O H N H O Cl IC50 = 5.0 nM 506.43 O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl Homo sapiens CHEMBL820272 single protein format
CHEMBL3964135 OBDepict O N H N N O N O Cl O NH 2 OH H F F F Cl IC50 = 5.0 nM 562.33 NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl Homo sapiens CHEMBL3887485 assay format
CHEMBL318083 OBDepict CH 3 N CH 3 HN O N O N H O CH 3 F IC50 = 5.0 nM 582.72 Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCCN(C)C)CC3)Cc3ccccc32)cc1 Homo sapiens CHEMBL819417 single protein format
CHEMBL3416870 OBDepict Cl N H N O O N Ki = 5.0 nM 367.84 O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1cccnc12 Homo sapiens CHEMBL3419315 cell-based format
CHEMBL4763639 OBDepict Cl N N O O H 3 C CH 3 N CH 3 Ki = 5.0 nM 439.99 Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C(C)C)Cc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL4746818 OBDepict Cl N N O O N CH 3 Ki = 5.0 nM 480.05 Cc1ccccc1N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL4749660 OBDepict Cl N N O N CH 3 Ki = 5.0 nM 383.92 Cc1ccccc1N1CCN(C(=O)N2CCCCc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL4759748 OBDepict Cl N N N O O N CH 3 Ki = 5.0 nM 481.04 Cc1ccccc1N1CCN(C(=O)N2CN(C(=O)C3CCCCC3)Cc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL3416873 OBDepict Cl N H N O O O Ki = 5.0 nM 380.83 O=C1OC2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c2ccccc21 Homo sapiens CHEMBL3419315 cell-based format
CHEMBL4781783 OBDepict Cl N N S N O O O CH 3 N H 3 C Ki = 5.3 nM 448.98 Cc1ccccc1N1CCN(C(=O)N2CN(S(C)(=O)=O)Cc3cc(Cl)ccc32)CC1 Homo sapiens CHEMBL4727316 cell-based format
CHEMBL1084111 OBDepict H 3 C O N O H CH 3 CH 3 CH 3 Ki = 5.4 nM 413.56 COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2ccccc12 Homo sapiens CHEMBL1120488 single protein format
CHEMBL1086068 OBDepict H 3 C O N O N H CH 3 CH 3 CH 3 Ki = 5.79 nM 414.55 COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cnc2ccccc2c1 Homo sapiens CHEMBL1120488 single protein format
CHEMBL3416774 OBDepict O N H CH 3 N O H 3 C N CH 3 Ki = 5.9 nM 413.52 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 Homo sapiens CHEMBL3419477 cell-based format