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P30411 | BKRB2_HUMAN | B2 bradykinin receptor (BDKRB2)

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
CHEMBL109123 OBDepict CH 3 N N O N O H 3 C Ki = 0.15 nM 329.44 CC(=O)CN1CN(CCc2ccccc2)C2(CCN(C)CC2)C1=O Homo sapiens CHEMBL652636 cell-based format
CHEMBL110188 OBDepict CH 3 N N O N O CH 3 Ki = 0.57 nM 307.44 CC(=O)CN1CN(C2CCCCC2)C2(CCN(C)CC2)C1=O Homo sapiens CHEMBL652636 cell-based format
CHEMBL439737 OBDepict CH 3 NH O N H O N O CH 3 Cl Cl O N CH 3 IC50 = 1.1 nM 591.5 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1 Homo sapiens CHEMBL653424 cell-based format
CHEMBL130517 OBDepict H 3 C HN O N N H O N O CH 3 Cl Cl O N H 3 C IC50 = 1.4 nM 592.48 CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cn1 Homo sapiens CHEMBL653418 cell-based format
CHEMBL140383 OBDepict CH 3 NH O N H O CH 3 H 3 C O N CH 3 IC50 = 2.6 nM 569.71 CNC(=O)c1ccc(/C=C/C(=O)NCc2ccccc2-c2ccc(C)c(COc3cccc4ccc(C)nc34)c2C)cc1 Homo sapiens CHEMBL884128 cell-based format
CHEMBL559436 OBDepict CH 3 N O N H 3 C N Cl N N O F F F IC50 = 4.0 nM 539.95 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3cccc(C(F)(F)F)c3=O)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL543781 OBDepict CH 3 NH O N H O N O CH 3 CH 3 H 3 C O N CH 3 ClH IC50 = 4.8 nM 587.12 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ccc(C)nc34)c2C)cc1.Cl Homo sapiens CHEMBL653418 cell-based format
CHEMBL143697 OBDepict CH 3 NH O N H O N O CH 3 CH 3 H 3 C O N CH 3 IC50 = 4.8 nM 550.66 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ccc(C)nc34)c2C)cc1 Homo sapiens CHEMBL884128 cell-based format
CHEMBL561634 OBDepict CH 3 N O N CH 3 N Cl N N O IC50 = 5.1 nM 471.95 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3ccccc3=O)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL559506 OBDepict O HN CH 3 CH 3 N O CH 3 N CH 3 N H 3 C N IC50 = 5.4 nM 443.55 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3CNC(=O)C(C)C)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL130775 OBDepict H 3 C NH O NH O S CH 3 CH 3 O N H 3 C IC50 = 5.8 nM 575.73 CNC(=O)c1ccc(/C=C/C(=O)NCc2sccc2-c2ccc(C)c(COc3cccc4ccc(C)nc34)c2C)cc1 Homo sapiens CHEMBL884128 cell-based format
CHEMBL562296 OBDepict CH 3 O O N Cl O N CH 3 N H 3 C N IC50 = 6.0 nM 434.88 CC(=O)OCc1cncc(Cl)c1C(=O)c1cccc2c(-c3ccnn3C)cc(C)nc12 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL323421 OBDepict CH 3 N N O N O CH 3 H 3 C Ki = 6.3 nM 315.42 CC(=O)CN1CN(c2ccc(C)cc2)C2(CCN(C)CC2)C1=O Homo sapiens CHEMBL652636 cell-based format
CHEMBL558279 OBDepict CH 3 N O N CH 3 N Cl O N N O H 3 C CH 3 IC50 = 6.5 nM 465.94 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3OCC(=O)N(C)C)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL563878 OBDepict CH 3 N O N CH 3 N Cl N HN N O H 3 C CH 3 IC50 = 6.6 nM 464.96 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CNC(=O)N(C)C)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL109172 OBDepict CH 3 N N O N O H 3 C Ki = 6.8 nM 321.47 CC(=O)CN1CN(CC2CCCCC2)C2(CCN(C)CC2)C1=O Homo sapiens CHEMBL652636 cell-based format
CHEMBL44087 OBDepict CH 3 HN O N H O N O CH 3 CH 3 H 3 C O N N O H 3 C CH 3 IC50 = 7.2 nM 569.66 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4c3nc(OC)n4C)c2C)cc1 Homo sapiens CHEMBL653418 cell-based format
CHEMBL564841 OBDepict CH 3 N O N CH 3 N Cl S N N O H 3 C CH 3 IC50 = 7.5 nM 482.01 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3SCC(=O)N(C)C)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL110652 OBDepict CH 3 N N O N O CH 3 Ki = 7.7 nM 301.39 CC(=O)CN1CN(c2ccccc2)C2(CCN(C)CC2)C1=O Homo sapiens CHEMBL652636 cell-based format
CHEMBL550827 OBDepict CH 3 N O N CH 3 N Cl N HN O H 3 C CH 3 IC50 = 7.8 nM 463.97 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CNC(=O)C(C)C)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL552090 OBDepict CH 3 N O N CH 3 N Cl N O N O H 3 C CH 3 IC50 = 8.3 nM 465.94 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3COC(=O)N(C)C)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL132860 OBDepict H 3 C O N N H 3 C O H 3 C CH 3 N CH 3 O N H O N N H O CH 3 IC50 = 8.5 nM 570.65 COc1nc2c(OCc3c(C)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(NC(C)=O)nc4)c3C)cccc2n1C Homo sapiens CHEMBL653418 cell-based format
CHEMBL563956 OBDepict CH 3 N N O H 3 C H N CH 3 N N O F F F IC50 = 8.7 nM 519.53 Cc1cc(-c2[nH]ncc2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL559825 OBDepict CH 3 N O N H 3 C N CH 3 N N O F F F IC50 = 8.8 nM 519.53 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL559565 OBDepict O HN N O H 3 C N CH 3 N CH 3 N IC50 = 10.0 nM 483.62 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3CNC(=O)C3CCCCC3)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL549534 OBDepict CH 3 N N O Cl S CH 3 N N O F F F IC50 = 10.0 nM 557.0 Cc1cc(-c2ncsc2Cl)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL552384 OBDepict CH 3 N H O N O Cl N CH 3 N H 3 C N IC50 = 12.0 nM 435.92 CC(=O)NCc1cncc(Cl)c1COc1cccc2c(-c3ccnn3C)cc(C)nc12 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL552296 OBDepict H 3 C N O N H 3 C N Cl N N H S O O CH 3 IC50 = 14.0 nM 471.97 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CNS(C)(=O)=O)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL342016 OBDepict CH 3 N H O HN O Cl Cl O N CH 3 IC50 = 14.0 nM 560.48 CNC(=O)c1ccc(/C=C/C(=O)NC/C=Cc2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1 Homo sapiens CHEMBL884128 cell-based format
CHEMBL283394 OBDepict O N CH 3 Cl N CH 3 Cl O O N N CH 3 Ki = 15.0 nM 587.51 Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CCc4ccc(C(=O)c5cccnc5)n4C)c3Cl)c2n1 Homo sapiens CHEMBL652639 single protein format
CHEMBL133913 OBDepict CH 3 NH O N H O N O CH 3 CH 3 H 3 C O N N CH 3 IC50 = 17.0 nM 551.65 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ncc(C)nc34)c2C)cc1 Homo sapiens CHEMBL653418 cell-based format
CHEMBL551759 OBDepict CH 3 N O N CH 3 N Cl S N N N H 3 C IC50 = 18.0 nM 476.99 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Sc3nccn3C)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL26908 OBDepict N O N H 3 C N O H 3 C H 3 C CH 3 O N CH 3 Ki = 19.0 nM 570.69 Cc1ccc2cccc(OCc3c(C)ccc(N(C)C(=O)CCc4ccc(C(=O)c5ccc(C#N)cc5)n4C)c3C)c2n1 Homo sapiens CHEMBL652639 single protein format
CHEMBL561415 OBDepict CH 3 N O N S CH 3 Cl Cl N IC50 = 20.0 nM 416.33 Cc1cc(-c2nscc2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL4128926 OBDepict OH O H H N H O N S S HN O O CH 3 CH 3 CH 3 IC50 = 21.0 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 CHEMBL4121473 single protein format
CHEMBL281756 OBDepict N O N H 3 C N O CH 3 Cl Cl O N CH 3 Ki = 23.0 nM 597.5 Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)Cc4ccc(C(=O)c5ccc(C#N)cc5)n4C)c3Cl)c2n1 Homo sapiens CHEMBL652639 single protein format
CHEMBL107234 OBDepict CH 3 N N O N O CH 3 H 3 C Ki = 27.0 nM 267.37 CCCN1CN(CC(C)=O)C(=O)C12CCN(C)CC2 Homo sapiens CHEMBL652636 cell-based format
CHEMBL562747 OBDepict CH 3 N N O N Cl Cl N IC50 = 32.0 nM 385.25 Cc1cc(-n2cccn2)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL562097 OBDepict NH 2 O N O Cl N CH 3 N CH 3 N IC50 = 33.0 nM 435.92 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CCC(N)=O)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL55632 OBDepict H 3 C N H O N N H O H N CH 3 CH 3 O N H 3 C Ki = 33.0 nM 563.7 CC(=O)Nc1ccc(/C=C/C(=O)NC[C@@H]2CCCN2c2ccc(C)c(COc3cccc4ccc(C)nc34)c2C)cn1 Homo sapiens CHEMBL652644 single protein format
CHEMBL552359 OBDepict CH 3 N O N CH 3 N Cl N N O H 3 C CH 3 IC50 = 36.0 nM 463.97 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CCC(=O)N(C)C)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL563068 OBDepict CH 3 N O N CH 3 N Cl + S N _ O N O H 3 C CH 3 IC50 = 37.0 nM 498.01 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3[S+]([O-])CC(=O)N(C)C)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL281951 OBDepict N O N H N O CH 3 Cl Cl O N CH 3 Ki = 38.0 nM 583.48 Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)Cc4ccc(C(=O)c5ccc(C#N)cc5)[nH]4)c3Cl)c2n1 Homo sapiens CHEMBL652639 single protein format
CHEMBL288603 OBDepict CH 3 HN O N H O N O CH 3 Cl Cl O N N CH 3 H 3 C IC50 = 43.0 nM 594.5 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c3nc(C)n4C)c2Cl)cc1 Homo sapiens CHEMBL653421 cell-based format
CHEMBL292181 OBDepict H 3 C N H O N N H O H N CH 3 CH 3 O N H 3 C Ki = 46.0 nM 563.7 CC(=O)Nc1ccc(/C=C/C(=O)NC[C@H]2CCCN2c2ccc(C)c(COc3cccc4ccc(C)nc34)c2C)cn1 Homo sapiens CHEMBL652644 single protein format
CHEMBL133339 OBDepict O N H N O H 3 C N CH 3 O CH 3 O N N CH 3 IC50 = 46.0 nM 577.69 Cc1cnc2cccc(OCc3c(C)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(N5CCCC5=O)cc4)c3C)c2n1 Homo sapiens CHEMBL653418 cell-based format
CHEMBL551758 OBDepict CH 3 N O N H 3 C N Cl S N N S IC50 = 50.0 nM 480.02 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Sc3nccs3)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL562434 OBDepict CH 3 N O N CH 3 N Cl Cl N IC50 = 50.0 nM 399.28 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL298463 OBDepict CH 3 NH O N H O N O CH 3 Cl Cl O N CH 3 N IC50 = 59.0 nM 592.48 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4cnc(C)nc34)c2Cl)cc1 Homo sapiens CHEMBL653421 cell-based format
CHEMBL563391 OBDepict CH 3 N O N CH 3 S Cl Cl N IC50 = 64.0 nM 416.33 Cc1cc(-c2ncsc2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL563254 OBDepict CH 3 N O N N CH 3 N Cl Cl N IC50 = 68.0 nM 400.27 Cc1cc(-c2ncnn2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL25745 OBDepict N O N H 3 C N O CH 3 CH 3 H 3 C O N CH 3 Ki = 69.0 nM 556.67 Cc1ccc2cccc(OCc3c(C)ccc(N(C)C(=O)Cc4ccc(C(=O)c5ccc(C#N)cc5)n4C)c3C)c2n1 Homo sapiens CHEMBL652639 single protein format
CHEMBL26847 OBDepict N N O N CH 3 N O CH 3 Cl Cl O N H 3 C Ki = 74.0 nM 598.49 Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)Cc4ccc(C(=O)c5ccc(C#N)nc5)n4C)c3Cl)c2n1 Homo sapiens CHEMBL652639 single protein format
CHEMBL295428 OBDepict CH 3 HN O N H O N O CH 3 CH 3 H 3 C O N N S H 3 C CH 3 IC50 = 79.0 nM 585.73 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4c3nc(SC)n4C)c2C)cc1 Homo sapiens CHEMBL653418 cell-based format
CHEMBL550143 OBDepict CH 3 N O N S Cl Cl N IC50 = 80.0 nM 402.31 Cc1cc(-c2cscn2)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL561899 OBDepict CH 3 N O N N CH 3 Cl Cl N IC50 = 90.0 nM 399.28 Cc1cc(-c2nccn2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL295005 OBDepict CH 3 HN O N H O N O CH 3 CH 3 H 3 C O N N H 3 C O H 3 C IC50 = 94.0 nM 581.67 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4c3nc(C(C)=O)n4C)c2C)cc1 Homo sapiens CHEMBL653418 cell-based format
CHEMBL25751 OBDepict N N O N CH 3 N O CH 3 CH 3 CH 3 O N H 3 C Ki = 103.0 nM 557.65 Cc1ccc2cccc(OCc3c(C)ccc(N(C)C(=O)Cc4ccc(C(=O)c5ccc(C#N)nc5)n4C)c3C)c2n1 Homo sapiens CHEMBL652639 single protein format
CHEMBL564294 OBDepict CH 3 N O S CH 3 N Cl Cl N IC50 = 110.0 nM 416.33 Cc1cc(-c2scnc2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL142015 OBDepict CH 3 HN O N H O N O CH 3 Cl O N H 3 C IC50 = 110.0 nM 557.05 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2)cc1 Homo sapiens CHEMBL884128 cell-based format
CHEMBL561223 OBDepict CH 3 N O N N CH 3 H Cl Cl N IC50 = 110.0 nM 399.28 Cc1cc(-c2n[nH]cc2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL282981 OBDepict Cl N O N CH 3 N O CH 3 CH 3 CH 3 O N CH 3 Ki = 126.0 nM 581.12 Cc1ccc2cccc(OCc3c(C)ccc(N(C)C(=O)CCc4ccc(C(=O)c5ccc(Cl)nc5)n4C)c3C)c2n1 Homo sapiens CHEMBL652639 single protein format
CHEMBL2087027 OBDepict O N H H N S O O Cl O N CH 3 N H Ki = 130.0 nM 557.12 Cc1ccc2cccc(OCc3cc(S(=O)(=O)N4CCC[C@H]4C(=O)NCC4CCNCC4)ccc3Cl)c2n1 Homo sapiens CHEMBL2091463 single protein format
CHEMBL334753 OBDepict O N H N O CH 3 CH 3 N O H 3 C CH 3 CH 3 O N N CH 3 IC50 = 130.0 nM 565.67 Cc1cnc2cccc(OCc3c(C)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)cc4)c3C)c2n1 Homo sapiens CHEMBL653418 cell-based format
CHEMBL424268 OBDepict H 3 C HN O N N H O N O CH 3 CH 3 H 3 C O N N H 3 C IC50 = 130.0 nM 552.64 CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ncc(C)nc34)c2C)cn1 Homo sapiens CHEMBL653418 cell-based format
CHEMBL550142 OBDepict CH 3 N S O N Cl Cl N IC50 = 135.0 nM 402.31 Cc1cc(-c2cncs2)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL559564 OBDepict H 3 C N O N CH 3 N Cl N O N IC50 = 140.0 nM 471.95 Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3COc3ccccn3)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL27461 OBDepict O N CH 3 CH 3 N CH 3 H 3 C O O S N CH 3 Ki = 141.0 nM 551.71 Cc1ccc2cccc(OCc3c(C)ccc(N(C)C(=O)CCc4ccc(C(=O)c5cccs5)n4C)c3C)c2n1 Homo sapiens CHEMBL652639 single protein format
CHEMBL342195 OBDepict CH 3 NH O N H O N O CH 3 CH 3 O N CH 3 IC50 = 150.0 nM 536.63 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2cccc(COc3cccc4ccc(C)nc34)c2C)cc1 Homo sapiens CHEMBL884128 cell-based format
CHEMBL240875 OBDepict CH 3 HN O N H O N O CH 3 CH 3 H 3 C O N N N H 3 C CH 3 H 3 C IC50 = 160.0 nM 582.71 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4c3nc(N(C)C)n4C)c2C)cc1 Homo sapiens CHEMBL653418 cell-based format
CHEMBL550016 OBDepict CH 3 N O S CH 3 N Cl Cl N IC50 = 200.0 nM 416.33 Cc1cc(-c2csnc2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL561839 OBDepict CH 3 N O N N CH 3 H 3 C Cl Cl N IC50 = 200.0 nM 413.31 Cc1cc(-c2ncc(C)n2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL549337 OBDepict CH 3 N N O CH 3 N Cl Cl N IC50 = 200.0 nM 399.28 Cc1cc(-n2ccnc2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL344021 OBDepict H 3 C NH O NH O N O CH 3 O CH 3 O O CH 3 N CH 3 IC50 = 210.0 nM 582.66 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(OC)c(COc3cccc4ccc(C)nc34)c2OC)cc1 Homo sapiens CHEMBL884128 cell-based format
CHEMBL563516 OBDepict CH 3 N O N Cl S Cl Cl N IC50 = 210.0 nM 436.75 Cc1cc(-c2ncsc2Cl)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL28282 OBDepict O N CH 3 N Cl H 3 C Cl O O S N CH 3 Ki = 239.0 nM 578.52 Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)Cc4ccc(C(=O)c5cccs5)n4C)c3Cl)c2n1 Homo sapiens CHEMBL652639 single protein format
CHEMBL338682 OBDepict CH 3 N H O N O CH 3 Cl Cl O N N CH 3 Br IC50 = 240.0 nM 570.31 CCCCCC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl Homo sapiens CHEMBL653420 cell-based format
CHEMBL41446 OBDepict CH 3 HN O N H O N O CH 3 Cl Cl O O CH 3 H 3 C IC50 = 270.0 nM 594.5 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(C)c(C)oc34)c2Cl)cc1 Homo sapiens CHEMBL653418 cell-based format
CHEMBL286710 OBDepict Cl N O N CH 3 N O CH 3 CH 3 CH 3 O N H 3 C Ki = 271.0 nM 567.09 Cc1ccc2cccc(OCc3c(C)ccc(N(C)C(=O)Cc4ccc(C(=O)c5ccc(Cl)nc5)n4C)c3C)c2n1 Homo sapiens CHEMBL652639 single protein format
CHEMBL1907655 OBDepict S HN N H N H + N O _ O S N O O H O H 2 N Ki = 299.0 nM 580.69 NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NNC(=S)NC2Cc3ccccc3Cc3ccccc32)c([N+](=O)[O-])c1 Homo sapiens CHEMBL876526 cell-based format
CHEMBL417474 OBDepict H 2 N O N CH 3 N O CH 3 Cl Cl O N H 3 C Ki = 300.0 nM 587.51 Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)Cc4ccc(C(=O)c5ccc(N)cc5)n4C)c3Cl)c2n1 Homo sapiens CHEMBL652639 single protein format
CHEMBL26629 OBDepict O N CH 3 CH 3 N CH 3 H 3 C O O N N CH 3 Ki = 304.0 nM 546.67 Cc1ccc2cccc(OCc3c(C)ccc(N(C)C(=O)CCc4ccc(C(=O)c5cccnc5)n4C)c3C)c2n1 Homo sapiens CHEMBL652639 single protein format
CHEMBL26976 OBDepict O N CH 3 Cl N CH 3 Cl O O S N CH 3 Ki = 304.0 nM 592.55 Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CCc4ccc(C(=O)c5cccs5)n4C)c3Cl)c2n1 Homo sapiens CHEMBL652639 single protein format
CHEMBL551435 OBDepict CH 3 N O N H N Cl Cl N IC50 = 310.0 nM 385.25 Cc1cc(-c2ccn[nH]2)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL544601 OBDepict O N H N O CH 3 Cl Cl O N CH 3 ClH IC50 = 340.0 nM 570.9 Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccccc4)c3Cl)c2n1.Cl Homo sapiens CHEMBL653418 cell-based format
CHEMBL1160969 OBDepict O N H HN H N HN N Ki = 410.0 nM 529.77 O=C(NC1CN2CCC1CC2)[C@H](Cc1ccc2ccccc2c1)N/C(=N/C1CCCCC1)NC1CCCCC1 Homo sapiens CHEMBL652642 single protein format
CHEMBL559645 OBDepict CH 3 N O N S Cl Cl N IC50 = 420.0 nM 402.31 Cc1cc(-c2nccs2)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL538865 OBDepict CH 3 N O O CH 3 N Cl Cl N IC50 = 430.0 nM 400.26 Cc1cc(-c2conc2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL551757 OBDepict CH 3 N O N CH 3 N Cl N IC50 = 517.0 nM 364.84 Cc1cc(-c2ccnn2C)c2cccc(OCc3ccncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL1160968 OBDepict O N H N H N N H N Ki = 550.0 nM 529.77 O=C(NC1CN2CCC1CC2)C(Cc1ccc2ccccc2c1)N/C(=N/C1CCCCC1)NC1CCCCC1 Homo sapiens CHEMBL652642 single protein format
CHEMBL559273 OBDepict CH 3 N N O N Cl Cl N IC50 = 580.0 nM 385.25 Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format
CHEMBL334421 OBDepict CH 3 NH O N N H O N O CH 3 CH 3 H 3 C O N N CH 3 IC50 = 590.0 nM 552.64 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ncc(C)nc34)c2C)cn1 Homo sapiens CHEMBL653418 cell-based format
CHEMBL131517 OBDepict CH 3 N H O N O CH 3 Cl Cl O N N CH 3 Br IC50 = 610.0 nM 542.26 CCCC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl Homo sapiens CHEMBL653420 cell-based format
CHEMBL288079 OBDepict CH 3 HN O N H O N O CH 3 CH 3 H 3 C O N N N H H 3 C CH 3 IC50 = 670.0 nM 568.68 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4c3nc(NC)n4C)c2C)cc1 Homo sapiens CHEMBL653418 cell-based format
CHEMBL2111974 OBDepict CH 3 N H O HN O Cl Cl O N CH 3 IC50 = 710.0 nM 560.48 CNC(=O)c1ccc(/C=C/C(=O)NC/C=C/c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1 Homo sapiens CHEMBL884128 cell-based format
CHEMBL296865 OBDepict H 3 C O N N CH 3 O CH 3 CH 3 N H 3 C O NH O N H O H 3 C IC50 = 730.0 nM 583.69 CCOc1nc2c(OCc3c(C)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)NC)cc4)c3C)cccc2n1C Homo sapiens CHEMBL653418 cell-based format
CHEMBL132620 OBDepict CH 3 N H 3 C NH O N O CH 3 Cl Cl O N N CH 3 Br IC50 = 830.0 nM 557.28 Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)CN(C)C)c3Cl)cccn2c1Br Homo sapiens CHEMBL653420 cell-based format
CHEMBL43510 OBDepict CH 3 N H O N H O N O H 3 C Cl Cl O N O H 3 C IC50 = 860.0 nM 581.46 CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4oc(C)nc34)c2Cl)cc1 Homo sapiens CHEMBL653421 cell-based format
CHEMBL552442 OBDepict CH 3 N O S Cl N Cl Cl N IC50 = 980.0 nM 436.75 Cc1cc(-c2scnc2Cl)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 Homo sapiens CHEMBL1026061 cell-based format