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P42336 | PK3CA_HUMAN | "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform" (PIK3CA)

3D structures mapped by conservation among orthologs

[ Domain: "ARM repeat" // PI3Ka ]

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[ Domain: "C2 domain" // PI3K_C2 ]

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[ Domain: "Protein kinase" // PI3_PI4_kinase ]

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[ Domain: "Ubiquitin-like" // PI3K_rbd ]

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[ Domain: "Ubiquitin-like" // PI3K_p85B ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL1236962 OBDepict CH 3 O N HN S O O F F N N N IC50 = 0.04 nM 505.51 COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL3223603 single protein format
CHEMBL3577914 OBDepict CH 3 O N HN S O O F F N N NH 2 N IC50 = 0.07 nM 520.52 COc1ncc(-c2ccc3nc(N)nc(-c4ccncc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL3579761 single protein format
CHEMBL3577911 OBDepict CH 3 O N HN S O O F F N N N IC50 = 0.095 nM 505.51 COc1ncc(-c2ccc3ncnc(-c4ccncc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL3579761 single protein format
CHEMBL3577908 OBDepict CH 3 O N HN S O O F F N N IC50 = 0.1 nM 504.52 COc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL3579761 single protein format
CHEMBL3639799 OBDepict OH O H H N O N H 3 C N N N N CH 3 CH 3 Ki = 0.102 nM 462.55 CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](OCCO)CC2)c(=O)n4C)cn1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3681175 OBDepict O N HO H 3 C H N O N CH 3 N N N N N H Ki = 0.11 nM 472.51 C[C@@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6[nH]ncc6c5)nc4c32)CC1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL2386970 OBDepict HO N N N O N N N N N H 3 C H 3 C CH 3 Ki = 0.11 nM 474.57 Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C5CN(CCO)C5)c4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL2388269 single protein format
CHEMBL3681177 OBDepict O N HO H 3 C CH 3 N O N CH 3 N N N N N H Ki = 0.114 nM 486.54 Cn1c(=O)n(C2CCN(C(=O)C(C)(C)O)CC2)c2c3nc(-c4cnc5[nH]ncc5c4)ccc3ncc21 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL2331664 OBDepict O N OH H 3 C H N O N H 3 C N N N CH 3 Ki = 0.13 nM 446.51 Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)[C@H](C)O)CC2)c(=O)n4C)cn1 Homo sapiens CHEMBL2346295 single protein format
CHEMBL4878958 OBDepict CH 3 O N N H S O O S CH 3 N N F O HN S IC50 = 0.13 nM 567.65 COc1ncc2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Homo sapiens CHEMBL4845570 single protein format
CHEMBL2387079 OBDepict H 3 C N CH 3 N N N N O N N OH H 3 C H 3 C Ki = 0.14 nM 433.52 CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(-c3cnn(CC(C)(C)O)c3)cc1OCC2 Homo sapiens CHEMBL2388269 single protein format
CHEMBL3660111 OBDepict CH 3 N N N N N N H S CH 3 S O O H 3 C O O F IC50 = 0.14 nM 558.66 CCc1ncnc(N2CCN(S(C)(=O)=O)CC2)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL3681182 OBDepict CH 3 N O N N H N H HO N N H Ki = 0.145 nM 414.47 Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4ccc5[nH]ncc5c4)ccc3ncc21 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3577927 OBDepict Cl S S N H O O Cl N S N N N IC50 = 0.15 nM 520.45 O=S(=O)(Nc1cc(-c2cc3c(-c4ccncc4)ncnc3s2)cnc1Cl)c1ccc(Cl)s1 Homo sapiens CHEMBL3579761 single protein format
CHEMBL3681176 OBDepict CH 3 O N O N O N CH 3 N N N N N H Ki = 0.167 nM 472.51 COCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6[nH]ncc6c5)nc4c32)CC1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL2387086 OBDepict HO N N O N N N N N H 3 C CH 3 Ki = 0.17 nM 405.46 CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(-c3cnn(CCO)c3)cc1OCC2 Homo sapiens CHEMBL2388269 single protein format
CHEMBL2331668 OBDepict CH 3 N O N O N CH 3 N N N N N H Ki = 0.191 nM 442.48 CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6[nH]ncc6c5)nc4c32)CC1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL4780201 OBDepict OH N N N H N N N HN O S H 3 C O O F F IC50 = 0.2 nM 553.55 COc1ncc(-c2ccc3ncnc(Nc4cnn(CCO)c4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL4667358 single protein format
CHEMBL1808977 OBDepict CH 3 N CH 3 N CH 3 O HN N H O N N N O N H O O IC50 = 0.2 nM 590.69 CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(O[C@H]4CCOC4)nc(N4CCOCC4)n3)cc2)cc1 Homo sapiens CHEMBL1810228 cell-based format
CHEMBL3660114 OBDepict CH 3 N N H S O O CH 3 N N N H CH 3 O IC50 = 0.2 nM 463.56 Cc1ncc(C#Cc2c(C)ncnc2N2CCOC[C@@H]2C)cc1NS(=O)(=O)c1ccccc1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL4860369 OBDepict H 3 C O N N H S O O S CH 3 N N O HN S IC50 = 0.23 nM 549.66 COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Homo sapiens CHEMBL4845570 single protein format
CHEMBL3577925 OBDepict F F S N H O O Cl N S N N N IC50 = 0.23 nM 515.95 O=S(=O)(Nc1cc(-c2cc3c(-c4ccncc4)ncnc3s2)cnc1Cl)c1ccc(F)cc1F Homo sapiens CHEMBL3579761 single protein format
CHEMBL3681165 OBDepict H 3 C N O N O N H 3 C N N N NH 2 Ki = 0.252 nM 417.47 CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N)nc5)nc4c32)CC1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3681135 OBDepict O N OH H 3 C H 3 C N O N H 3 C N N N N CH 3 CH 3 Ki = 0.264 nM 489.58 CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)O)CC2)c(=O)n4C)cn1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3577913 OBDepict CH 3 O N HN S O O F F N N N IC50 = 0.27 nM 505.51 COc1ncc(-c2ccc3nncc(-c4ccncc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL3579761 single protein format
CHEMBL3681154 OBDepict NH 2 N N N N N N H 3 C O H H OH Ki = 0.273 nM 391.44 Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3655894 OBDepict H 3 C N HN S O O CH 3 N N N O IC50 = 0.28 nM 449.54 Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccccc1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL3681131 OBDepict O N H 3 C H 3 C CH 3 N O N H 3 C N N N N CH 3 CH 3 Ki = 0.281 nM 487.61 CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)C)CC2)c(=O)n4C)cn1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3681179 OBDepict H 3 C N N O N CH 3 N N N N N H Ki = 0.282 nM 414.47 CN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6[nH]ncc6c5)nc4c32)CC1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL2387080 OBDepict CH 3 N N N CH 3 H 3 C N N O N N H 3 C H 3 C O H 2 N Ki = 0.29 nM 460.54 Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL2388269 single protein format
CHEMBL2387082 OBDepict CH 3 N N O N N N N N H 3 C CH 3 H 3 C Ki = 0.29 nM 389.46 Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL2388269 single protein format
CHEMBL3681130 OBDepict CH 3 N CH 3 N N N N N H 3 C O O Ki = 0.298 nM 404.47 CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3577926 OBDepict F S N H O O Cl N S N N N IC50 = 0.3 nM 497.96 O=S(=O)(Nc1cc(-c2cc3c(-c4ccncc4)ncnc3s2)cnc1Cl)c1ccc(F)cc1 Homo sapiens CHEMBL3579761 single protein format
CHEMBL3660127 OBDepict CH 3 O N HN S O O Cl CH 3 N N N O IC50 = 0.3 nM 499.98 COc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL2386972 OBDepict CH 3 N N N H 3 C H 3 C N N O N N N O Ki = 0.3 nM 488.6 Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(CCN5CCOCC5)c4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL2388269 single protein format
CHEMBL1668277 OBDepict H 3 C N H O N NH 2 N CH 3 N N H Ki = 0.3 nM 332.37 Cc1cc(C(=O)Nc2cnc3[nH]ccc3c2)c2nc(C)nc(N)c2c1 Homo sapiens CHEMBL1670738 single protein format
CHEMBL2387081 OBDepict H N N O N N N N N H 3 C CH 3 Ki = 0.31 nM 361.41 CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(-c3cn[nH]c3)cc1OCC2 Homo sapiens CHEMBL2388269 single protein format
CHEMBL3681111 OBDepict NH 2 N O N O N H 3 C N N N CH 3 Ki = 0.32 nM 431.5 Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN)CC2)c(=O)n4C)cn1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3681178 OBDepict HO N O N O N CH 3 N N N N N H Ki = 0.32 nM 458.48 Cn1c(=O)n(C2CCN(C(=O)CO)CC2)c2c3nc(-c4cnc5[nH]ncc5c4)ccc3ncc21 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3681082 OBDepict H 3 C O N N N N N CH 3 O N O NH 2 Ki = 0.339 nM 447.5 COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(N)=O)CC2)c(=O)n4C)cn1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL2386971 OBDepict H 3 C N N N N CH 3 H 3 C N O N N N O OH H 3 C H Ki = 0.34 nM 502.58 Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C5CN(C(=O)[C@H](C)O)C5)c4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL2388269 single protein format
CHEMBL2017653 OBDepict N S N Cl N N O H N Cl Ki = 0.35 nM 406.3 N#Cc1c(N2CCOCC2)sc(-c2ncn[nH]2)c1-c1ccc(Cl)cc1Cl Homo sapiens CHEMBL2020200 single protein format
CHEMBL3681183 OBDepict CH 3 N O N N H N H HO N N N H Ki = 0.366 nM 415.46 Cn1c(=O)n([C@H]2CC[C@H](O)CC2)c2c3nc(-c4cnc5[nH]ncc5c4)ccc3ncc21 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3660128 OBDepict CH 3 O N N H S O O S Cl CH 3 N N N O IC50 = 0.38 nM 506.01 COc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccc(Cl)s1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL3660129 OBDepict CH 3 O N N H S O O S CH 3 N N N O IC50 = 0.39 nM 471.56 COc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1cccs1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL3681121 OBDepict CH 3 N O N O N CH 3 N N N N CH 3 H 3 C Ki = 0.391 nM 445.53 CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3681140 OBDepict O N HO H 3 C H N O N CH 3 N N N N CH 3 H 3 C Ki = 0.397 nM 475.55 C[C@@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL592615 OBDepict H 3 C N CH 3 NH O HN N H O N N N N N O O IC50 = 0.4 nM 575.67 CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1 Homo sapiens CHEMBL1065055 single protein format
CHEMBL1808979 OBDepict CH 3 O N N N N O N H HN O N O CH 3 N CH 3 CH 3 IC50 = 0.4 nM 534.62 COc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)N(C)CCN(C)C)cc3)cc2)nc(N2CCOCC2)n1 Homo sapiens CHEMBL1810228 cell-based format
CHEMBL4515169 OBDepict CH 3 O N N H S O O CH 3 N N N H N O H 3 C IC50 = 0.4 nM 470.56 COc1ncc(-c2ccc3ncnc(NC4CCN(C(C)=O)CC4)c3c2)cc1NS(C)(=O)=O Homo sapiens CHEMBL4305777 single protein format
CHEMBL1083912 OBDepict CH 3 HN N H O O O N H O CH 3 N H 3 C N CH 3 H 3 C IC50 = 0.4 nM 471.52 CNC(=O)Nc1ccc2c(c1)C(=O)/C(=Cc1c(-c3c(C)nn(C)c3C)[nH]c3ccc(OC)cc13)O2 Homo sapiens CHEMBL1119657 single protein format
CHEMBL3655855 OBDepict CH 3 O N HN S O O CH 3 N N N O IC50 = 0.4 nM 465.54 COc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccccc1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL1083305 OBDepict CH 3 HN N H O O O N H O F CH 3 N H 3 C N CH 3 H 3 C IC50 = 0.4 nM 489.51 CNC(=O)Nc1ccc2c(c1)C(=O)/C(=Cc1c(-c3c(C)nn(C)c3C)[nH]c3c(F)cc(OC)cc13)O2 Homo sapiens CHEMBL1119657 single protein format
CHEMBL2387083 OBDepict HO N N O N N N N N H 3 C CH 3 H 3 C Ki = 0.4 nM 419.49 Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(CCO)c4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL2388269 single protein format
CHEMBL3655884 OBDepict F S HN O O H 3 C N CH 3 N N N O IC50 = 0.43 nM 467.53 Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)cc1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL4876895 OBDepict CH 3 O N HN S O O S H 3 C N N O NH N N IC50 = 0.43 nM 547.62 COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1ncnc3c(C)c-2sc13 Homo sapiens CHEMBL4845570 single protein format
CHEMBL3681162 OBDepict HO N CH 3 H O N CH 3 N N N H N N Ki = 0.438 nM 375.39 C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4c[nH]c5nncc-5c4)nc3c21 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3660126 OBDepict CH 3 O N HN S O O F F F CH 3 N N N O IC50 = 0.44 nM 533.53 COc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL3705550 single protein format
CHEMBL3660101 OBDepict CH 3 N N H S O O N CH 3 N CH 3 N N N O IC50 = 0.44 nM 453.53 Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccnn1C Homo sapiens CHEMBL3705550 single protein format
CHEMBL3655883 OBDepict CH 3 O N HN S O O F F CH 3 N N N O IC50 = 0.44 nM 501.52 COc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL3705550 single protein format
CHEMBL3660130 OBDepict CH 3 O N N H S O O N CH 3 N CH 3 N N N O IC50 = 0.45 nM 469.53 COc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccnn1C Homo sapiens CHEMBL3705550 single protein format
CHEMBL3655874 OBDepict F F S HN O O N H 3 C N N N O IC50 = 0.46 nM 471.49 Cc1ncnc(N2CCOCC2)c1C#Cc1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL3655873 OBDepict H 3 C N N N N O N H S O O IC50 = 0.46 nM 435.51 Cc1ncnc(N2CCOCC2)c1C#Cc1cncc(NS(=O)(=O)c2ccccc2)c1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL3660112 OBDepict H 3 C N N N N N HN H 3 C S O CH 3 O O F IC50 = 0.47 nM 522.61 CCc1ncnc(N2CCN(C(C)=O)CC2)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL3655906 OBDepict Cl S S N H O O CH 3 N CH 3 N N N O IC50 = 0.47 nM 490.01 Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccc(Cl)s1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL2331661 OBDepict CH 3 O N N N N N H 3 C O N O H 3 C Ki = 0.478 nM 432.48 COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)cn1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3648918 OBDepict NH 2 N N H 3 C N O N N H IC50 = 0.48 nM 360.42 Cc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2C1CCCC1 Homo sapiens CHEMBL3706092 single protein format
CHEMBL3660110 OBDepict H 3 C N N N N HN OH H 3 C S O O F IC50 = 0.48 nM 495.58 CCc1ncnc(N2CCC(O)CC2)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL2331659 OBDepict CH 3 O N N N N N H 3 C O H H OH Ki = 0.5 nM 405.46 COc1ccc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](O)CC2)c(=O)n4C)cn1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL2331658 OBDepict OH O H H N O N H 3 C N N N O CH 3 Ki = 0.5 nM 449.51 COc1ccc(-c2ccc3ncc4c(c3n2)n([C@H]2CC[C@H](OCCO)CC2)c(=O)n4C)cn1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3681119 OBDepict CH 3 N CH 3 N N N N N H 3 C O N H Ki = 0.5 nM 403.49 CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCNCC2)c(=O)n4C)cn1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL1668264 OBDepict CH 3 O N HN O N CH 3 CH 3 N H 2 N Ki = 0.5 nM 323.36 COc1ccc(NC(=O)c2cc(C)cc3c(N)nc(C)nc23)cn1 Homo sapiens CHEMBL1670738 single protein format
CHEMBL1668269 OBDepict CH 3 N HN O N CH 3 N H 2 N Ki = 0.5 nM 293.33 Cc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1 Homo sapiens CHEMBL1670738 single protein format
CHEMBL4640081 OBDepict CH 3 HN O CH 3 H N N O N N H O S H 3 C O O S H 3 C N CH 3 IC50 = 0.5 nM 542.64 CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4sc(C)nc4C)c3)cc2c1=O Homo sapiens CHEMBL4621919 single protein format
CHEMBL1668271 OBDepict H 3 C N NH O N CH 3 CH 3 N NH 2 Ki = 0.5 nM 307.36 Cc1cc(C(=O)Nc2ccc(C)nc2)c2nc(C)nc(N)c2c1 Homo sapiens CHEMBL1670738 single protein format
CHEMBL1928725 OBDepict N N N N N S H 3 C O O Cl + N O _ O IC50 = 0.5 nM 418.82 CN(/N=C/c1cnn2ccc(C#N)cc12)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl Homo sapiens CHEMBL1932608 single protein format
CHEMBL3218576 OBDepict H 3 C O O N NH N N N O N N O H 2 N IC50 = 0.5 nM 480.53 COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21 Homo sapiens CHEMBL3868768 single protein format
CHEMBL3660125 OBDepict CH 3 O N HN S O O O F F F CH 3 N N N O IC50 = 0.5 nM 549.53 COc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccccc1OC(F)(F)F Homo sapiens CHEMBL3705550 single protein format
CHEMBL1082986 OBDepict CH 3 O N H O O H 3 C N CH 3 N CH 3 N H NH O N IC50 = 0.5 nM 534.58 COc1ccc2[nH]c(-c3c(C)nn(C)c3C)c(/C=C3/Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c2c1 Homo sapiens CHEMBL1119657 single protein format
CHEMBL1928555 OBDepict N N N N N S O O H 3 C + N O _ O H 3 C IC50 = 0.5 nM 412.43 CCN(/N=C/c1cnn2ccc(C#N)cc12)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C Homo sapiens CHEMBL1932608 single protein format
CHEMBL4449091 OBDepict H 3 C O N N H S O O CH 3 N N HN H N O CH 3 IC50 = 0.5 nM 456.53 COc1ncc(-c2ccc3ncnc(N[C@H]4CCN(C(C)=O)C4)c3c2)cc1NS(C)(=O)=O Homo sapiens CHEMBL4305777 single protein format
CHEMBL3681142 OBDepict OH N O N O N H 3 C N N N N CH 3 CH 3 Ki = 0.505 nM 461.53 CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CO)CC2)c(=O)n4C)cn1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3681079 OBDepict CH 3 O N N N N N H O H H OH Ki = 0.51 nM 391.43 COc1ccc(-c2ccc3ncc4[nH]c(=O)n([C@H]5CC[C@H](O)CC5)c4c3n2)cn1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL4868231 OBDepict H 2 N N N N N N O N O N O O O NH 2 IC50 = 0.51 nM 583.61 NC(=O)c1cccc2cc(C(=O)N3CCN(Cc4cc5nc(-c6cnc(N)nc6)nc(N6CCOCC6)c5o4)CC3)oc12 Homo sapiens CHEMBL4817099 single protein format
CHEMBL3655895 OBDepict F F S HN O O O N H CH 3 N N N O IC50 = 0.51 nM 487.49 Cc1ncnc(N2CCOCC2)c1C#Cc1c[nH]c(=O)c(NS(=O)(=O)c2ccc(F)cc2F)c1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL2331667 OBDepict CH 3 N O N O N CH 3 N N N N H Ki = 0.513 nM 441.5 CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc6[nH]ncc56)nc4c32)CC1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3681136 OBDepict H 2 N N N N N N N CH 3 O O Ki = 0.529 nM 377.41 Cn1c(=O)n(C2CCOCC2)c2c3nc(-c4cnc(N)nc4)ccc3ncc21 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3660132 OBDepict CH 3 O N N H S O O O CH 3 CH 3 N N N O IC50 = 0.53 nM 469.52 COc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1ccc(C)o1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL3655875 OBDepict H 3 C N N N N O N H S O O S IC50 = 0.53 nM 441.54 Cc1ncnc(N2CCOCC2)c1C#Cc1cncc(NS(=O)(=O)c2cccs2)c1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL1910998 OBDepict F F N N N N OH N N N O O IC50 = 0.53 nM 433.42 Oc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1 Homo sapiens CHEMBL1914124 single protein format
CHEMBL2331663 OBDepict OH N O N O N H 3 C N N N CH 3 Ki = 0.532 nM 432.48 Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CO)CC2)c(=O)n4C)cn1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3681068 OBDepict CH 3 N O N O N CH 3 N N N Ki = 0.539 nM 466.55 CCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL3660131 OBDepict CH 3 O N N H S O O N N CH 3 CH 3 N N N O IC50 = 0.55 nM 469.53 COc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1cnn(C)c1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL3660123 OBDepict CH 3 O N N H S O O O N N N CH 3 O IC50 = 0.55 nM 469.52 CCc1ncnc(N2CCOCC2)c1C#Cc1cnc(OC)c(NS(=O)(=O)c2ccco2)c1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL3655902 OBDepict CH 3 S H 3 C S NH O O CH 3 N CH 3 N N N O IC50 = 0.55 nM 483.62 Cc1cc(S(=O)(=O)Nc2cc(C#Cc3c(C)ncnc3N3CCOCC3)cnc2C)c(C)s1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL3655896 OBDepict CH 3 N N N N N H H 3 C OH H 3 C S O O CH 3 IC50 = 0.55 nM 429.55 CCc1ncnc(N2CCC(C)(O)CC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL3655905 OBDepict H 3 C N N S N H O O CH 3 N CH 3 N N N O IC50 = 0.56 nM 453.53 Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)c1cnn(C)c1 Homo sapiens CHEMBL3705550 single protein format
CHEMBL3681086 OBDepict O N HO H 3 C CH 3 N O N CH 3 N N N Ki = 0.568 nM 496.57 Cn1c(=O)n(C2CCN(C(=O)C(C)(C)O)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21 Homo sapiens CHEMBL3705454 cell-based format
CHEMBL1234354 OBDepict HO O H H N O N H 2 N N CH 3 N O CH 3 Ki = 0.57 nM 425.49 COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1 Homo sapiens CHEMBL2020200 single protein format
CHEMBL3218579 OBDepict HO O H H N N O H 2 N N CH 3 N O CH 3 Ki = 0.57 nM 427.51 COc1ccc(C2=CC3C(C)=NC(N)=NC3N([C@H]3CC[C@H](OCCO)CC3)C2=O)cn1 Homo sapiens CHEMBL3223603 single protein format