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Q04759 | KPCT_HUMAN | Protein kinase C theta type (PRKCQ)

3D structures mapped by conservation among orthologs

[ Domain: "C2 domain" // KOG0694 ]

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[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "Cysteine-rich domain" // C1_1 ]

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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
CHEMBL2326002 OBDepict CH 3 CH 3 HO CH 3 H HN N N Cl F N N H N Ki = 0.08 nM 418.9 CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3n[nH]c4ncccc34)c(F)cc2Cl)CCN1 Homo sapiens CHEMBL2329704 single protein format
CHEMBL4082370 OBDepict H 3 C O N N N N O H Cl N HN IC50 = 0.086 nM 388.86 CCOc1ccnc2[nH]c(=O)n(-c3nc(N4CCCNCC4)ccc3Cl)c12 Homo sapiens CHEMBL4017958 assay format
CHEMBL2151411 OBDepict CH 3 N N N N O N H O N H H 3 C IC50 = 0.1 nM 452.52 Cc1cccc2c(C3=C(c4nc(N5CCN(C)CC5)nc5ccccc45)C(=O)NC3=O)c[nH]c12 Homo sapiens CHEMBL2156016 single protein format
CHEMBL2325998 OBDepict CH 3 CH 3 HO CH 3 H HN N N HO F N N H N Ki = 0.1 nM 400.46 CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3n[nH]c4ncccc34)c(F)cc2O)CCN1 Homo sapiens CHEMBL2329704 single protein format
CHEMBL2326000 OBDepict OH N N F N HN H N OH CH 3 H N H 3 C H 3 C Ki = 0.1 nM 414.49 CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3n[nH]c4ncccc34)c(F)cc2CO)CCN1 Homo sapiens CHEMBL2329704 single protein format
CHEMBL4578497 OBDepict N N HN N N H O N H F F F H H H 2 N IC50 = 0.1 nM 569.68 N#Cc1cnc(NCc2ccccc2OC(F)(F)F)nc1NCC12CC3CC(C1)C(N[C@H]1CC[C@H](N)CC1)C(C3)C2 Homo sapiens CHEMBL4370498 single protein format
CHEMBL2326001 OBDepict CH 3 CH 3 HO CH 3 H HN N N F F N N H N Ki = 0.1 nM 402.45 CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3n[nH]c4ncccc34)c(F)cc2F)CCN1 Homo sapiens CHEMBL2329704 single protein format
CHEMBL2148106 OBDepict H 3 C O H OH H 3 C H H O H CH 3 O H O CH 3 H 3 C HO O H H 3 C O O H OH H 3 C H Ki = 0.11 nM 592.73 CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cccc(O)c1 Homo sapiens CHEMBL2148243 single protein format
CHEMBL3921551 OBDepict O HN N NH 2 N N N N Cl F F F H 3 C H 2 N IC50 = 0.13 nM 506.92 CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(Cl)c3C(F)(F)F)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3920517 OBDepict OH H 2 N N N NH O N NH 2 N N N F F F O IC50 = 0.13 nM 573.58 Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)(CO)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3586039 OBDepict CH 3 N H N H N F N NH O N H 3 C N N CH 3 N IC50 = 0.14 nM 441.52 CCN1CCC[C@@H](CNc2nc(Nc3cc(OC)cc(-n4nnnc4C)c3)ncc2F)C1 Homo sapiens CHEMBL3587275 single protein format
CHEMBL3893533 OBDepict H 2 N N N HN O N NH 2 N N F F F O IC50 = 0.16 nM 542.57 Nc1ncc(-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)nc1C(=O)Nc1ncccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL4065996 OBDepict O N O H 3 C H 3 C CH 3 N N N + N O _ O O N N H IC50 = 0.18 nM 517.55 CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3c(=O)[nH]c4ncccc43)n2)C(c2ccccc2)C1 Homo sapiens CHEMBL4017958 assay format
CHEMBL4469412 OBDepict CH H 3 C NH 2 N N N H Ki = 0.2 nM 290.37 C#CCC(C)(CN)c1cccc(-c2ccnc3[nH]ncc23)c1 Homo sapiens CHEMBL4399584 assay format
CHEMBL2418196 OBDepict O O H O H OH H 3 C H H CH 3 O O O H CH 3 H 3 C CH 3 H HO H H 3 C OH Ki = 0.2 nM 562.7 C[C@@H](CCCc1cccc(O)c1)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C Homo sapiens CHEMBL2421503 single protein format
CHEMBL2326007 OBDepict H 3 C CH 3 OH CH 3 H NH N N F N N H N Ki = 0.2 nM 384.46 CC(C)[C@@](C)(O)[C@@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1 Homo sapiens CHEMBL2329704 single protein format
CHEMBL3966595 OBDepict H 2 N N N HN O N NH 2 N N N O IC50 = 0.2 nM 525.62 Nc1ncc(-c2nc(N3CCOCC3)cc3ccccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL4547465 OBDepict N N HN N N H N S N H H 3 C CH 3 H H OH IC50 = 0.23 nM 575.83 CC(C)Sc1ncccc1CNc1ncc(C#N)c(NCC23CC4CC(C2)C(NC[C@H]2CC[C@H](O)CC2)C(C4)C3)n1 Homo sapiens CHEMBL4370498 single protein format
CHEMBL3982497 OBDepict NH 2 N N N H O N H 2 N N N H IC50 = 0.23 nM 428.5 Nc1ncc(-c2cccc3[nH]ccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3907088 OBDepict NH 2 N N Cl N N H 2 N N H O N N H 3 C NH 2 IC50 = 0.24 nM 454.93 CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N)ncc3Cl)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3943813 OBDepict H 2 N N HN O N NH 2 N IC50 = 0.25 nM 388.48 Nc1ncc(-c2ccccc2)nc1C(=O)Nc1ccccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3937993 OBDepict NH 2 O N N F N N H 2 N N H O N N H 3 C NH 2 IC50 = 0.27 nM 466.48 CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C(N)=O)ncc3F)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3984070 OBDepict NH 2 N N NH O N H 2 N N N N N F F F O IC50 = 0.27 nM 544.54 Nc1ncc(-c2nc(N3CCOCC3)ncc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL571581 OBDepict N N HN O H 3 C N H N N H 3 C IC50 = 0.28 nM 476.58 Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CN4CCN(C)CC4)ccc3o2)ccc2[nH]ccc12 Homo sapiens CHEMBL1047183 single protein format
CHEMBL3987185 OBDepict CH 3 O NH 2 N N N H O N NH 2 N N O F F F IC50 = 0.29 nM 532.53 CCOCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3892099 OBDepict O HN N NH 2 N N N N N H 3 C H 2 N O IC50 = 0.3 nM 539.64 CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N4CCOCC4)cc4ccccc34)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL4528271 OBDepict CH 3 H 3 C NH 2 N Cl N N H Ki = 0.3 nM 314.82 CCC(C)(CN)c1cccc(-c2ccnc3[nH]nc(Cl)c23)c1 Homo sapiens CHEMBL4399584 assay format
CHEMBL1082225 OBDepict N N N H CH 3 N N H N NH IC50 = 0.32 nM 449.56 Cc1c(Nc2c(C#N)cncc2/C=C/c2cccc(CN3CCNCC3)n2)ccc2[nH]ccc12 Homo sapiens CHEMBL1105142 single protein format
CHEMBL3586038 OBDepict CH 3 O NH N N N N N CH 3 N N H F H N CH 3 IC50 = 0.32 nM 427.49 COc1cc(Nc2ncc(F)c(NC[C@@H]3CCCN(C)C3)n2)cc(-n2nnnc2C)c1 Homo sapiens CHEMBL3587275 single protein format
CHEMBL3895998 OBDepict NH 2 N NH N O N H 2 N N F IC50 = 0.33 nM 407.45 Nc1ncc(-c2ccccc2F)nc1C(=O)Nc1cnccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3967601 OBDepict CH 3 O N F F F N N H 2 N NH O N N CH 3 NH 2 IC50 = 0.33 nM 516.53 CCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C(F)(F)F Homo sapiens CHEMBL3889159 single protein format
CHEMBL3966643 OBDepict NH 2 N N NH O N H 2 N N N N F F F O IC50 = 0.36 nM 543.55 Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3969856 OBDepict NH 2 N N N H O N NH 2 N N CH 3 H IC50 = 0.36 nM 442.53 Cc1cc2c(-c3cnc(N)c(C(=O)Nc4ncccc4N4CCC(N)CC4)n3)cccc2[nH]1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL4540382 OBDepict N N HN N N H O N H F F F H H HO IC50 = 0.38 nM 570.66 N#Cc1cnc(NCc2ccccc2OC(F)(F)F)nc1NCC12CC3CC(C1)C(N[C@H]1CC[C@H](O)CC1)C(C3)C2 Homo sapiens CHEMBL4370498 single protein format
CHEMBL3982723 OBDepict O HN N NH 2 N N N N F F F H 3 C H 2 N IC50 = 0.4 nM 472.48 CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL4569479 OBDepict CH 3 H 3 C NH 2 N N N H F F F Ki = 0.4 nM 348.37 CCC(C)(CN)c1cccc(-c2ccnc3[nH]nc(C(F)(F)F)c23)c1 Homo sapiens CHEMBL4399584 assay format
CHEMBL4580751 OBDepict N N HN N N H O N H F F F H H OH IC50 = 0.42 nM 584.69 N#Cc1cnc(NCc2ccccc2OC(F)(F)F)nc1NCC12CC3CC(C1)C(NC[C@H]1CC[C@H](O)CC1)C(C3)C2 Homo sapiens CHEMBL4370498 single protein format
CHEMBL3958917 OBDepict H 2 N N N HN O N NH 2 N N N N F O IC50 = 0.43 nM 544.6 Nc1ncc(-c2nc(N3CCOCC3)nc3ccc(F)cc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL1080995 OBDepict N N N H CH 3 CH 3 N H S N O O N CH 3 IC50 = 0.44 nM 526.67 Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1/C=C/c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 Homo sapiens CHEMBL1114007 single protein format
CHEMBL4575526 OBDepict N N HN N N H S N HN CH 3 H H OH IC50 = 0.44 nM 547.77 CSc1ncccc1CNc1ncc(C#N)c(NCC23CC4CC(C2)C(NC[C@H]2CC[C@H](O)CC2)C(C4)C3)n1 Homo sapiens CHEMBL4370498 single protein format
CHEMBL3899197 OBDepict H 3 C O N F F F N N NH 2 HN O N N H 3 C H 2 N IC50 = 0.45 nM 502.5 COc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C(F)(F)F Homo sapiens CHEMBL3889159 single protein format
CHEMBL3586040 OBDepict CH 3 O N H N H N F N NH O N H 3 C N N CH 3 N IC50 = 0.46 nM 471.54 COCCN1CCC[C@@H](CNc2nc(Nc3cc(OC)cc(-n4nnnc4C)c3)ncc2F)C1 Homo sapiens CHEMBL3587275 single protein format
CHEMBL4524977 OBDepict H 3 C S N N H N N N H N N H H H HO IC50 = 0.46 nM 561.8 CCSc1ncccc1CNc1ncc(C#N)c(NCC23CC4CC(C2)C(NC[C@H]2CC[C@H](O)CC2)C(C4)C3)n1 Homo sapiens CHEMBL4370498 single protein format
CHEMBL570713 OBDepict H 3 C N N O N HN N H 3 C N H IC50 = 0.48 nM 490.61 CCN1CCN(Cc2ccc3oc(-c4cncc(C#N)c4Nc4ccc5[nH]ccc5c4C)cc3c2)CC1 Homo sapiens CHEMBL1047183 single protein format
CHEMBL1080994 OBDepict N N N H H 3 C N H S N O O N CH 3 IC50 = 0.49 nM 512.64 Cc1c(Nc2c(C#N)cncc2/C=C/c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)ccc2[nH]ccc12 Homo sapiens CHEMBL1114007 single protein format
CHEMBL1996510 OBDepict O N H O N N N N H N H IC50 = 0.5 nM 424.46 O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12 Homo sapiens CHEMBL2156016 single protein format
CHEMBL2148108 OBDepict OH H O O O O H H O H H 3 C O H H 3 C CH 3 HO Ki = 0.54 nM 504.62 C[C@H]1[C@@H]2C[C@@]3(O[C@H](CCC3(C)C)CC(=O)O[C@@H](CO)CC(=O)O2)O[C@@H]1CCCCc1cccc(O)c1 Homo sapiens CHEMBL2148243 single protein format
CHEMBL4594002 OBDepict N N HN N N H NH F F F H H HO IC50 = 0.57 nM 568.69 N#Cc1cnc(NCc2ccccc2C(F)(F)F)nc1NCC12CC3CC(C1)C(NC[C@H]1CC[C@H](O)CC1)C(C3)C2 Homo sapiens CHEMBL4370498 single protein format
CHEMBL4439095 OBDepict N N HN N N H N O N H H 3 C CH 3 H H OH IC50 = 0.59 nM 559.76 CC(C)Oc1ncccc1CNc1ncc(C#N)c(NCC23CC4CC(C2)C(NC[C@H]2CC[C@H](O)CC2)C(C4)C3)n1 Homo sapiens CHEMBL4370498 single protein format
CHEMBL2046649 OBDepict CH 3 H 3 C H NH N N O NH 2 N Ki = 0.6 nM 415.54 CC(C)C[C@H]1CN(c2ccc(-c3ccccc3)c(C(=O)c3cccnc3N)n2)CCN1 Homo sapiens CHEMBL2049835 single protein format
CHEMBL2153750 OBDepict CH 3 N N N N O N H F O N H IC50 = 0.6 nM 456.48 CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3cc(F)ccc3n2)CC1 Homo sapiens CHEMBL2156016 single protein format
CHEMBL3889877 OBDepict N N F F F N N NH 2 N H O N N H 3 C NH 2 IC50 = 0.63 nM 497.49 CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(C#N)c3C(F)(F)F)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL1091481 OBDepict HO N N N N HN N H 3 C N H IC50 = 0.65 nM 493.62 Cc1c(Nc2c(C#N)cncc2/C=C/c2cccc(CN3CCN(CCO)CC3)n2)ccc2[nH]ccc12 Homo sapiens CHEMBL1105142 single protein format
CHEMBL4529215 OBDepict N N HN N N H O N H F F F H H HO IC50 = 0.66 nM 570.66 N#Cc1cnc(NCc2ccccc2OC(F)(F)F)nc1NCC12CC3CC(C1)C(N[C@H]1CC[C@@H](O)CC1)C(C3)C2 Homo sapiens CHEMBL4370498 single protein format
CHEMBL570277 OBDepict N N HN S H 3 C N H N N H 3 C IC50 = 0.67 nM 492.65 Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CN4CCN(C)CC4)ccc3s2)ccc2[nH]ccc12 Homo sapiens CHEMBL1047183 single protein format
CHEMBL3957715 OBDepict NH 2 N N N H O N H 2 N N N N H IC50 = 0.67 nM 429.49 Nc1ncc(-c2cccc3[nH]ncc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3945647 OBDepict O NH N H 2 N N N N N F N N CH 3 NH 2 O IC50 = 0.68 nM 508.56 CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N4CCOCC4)ncc3F)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3983009 OBDepict NH 2 N N N H O N NH 2 N N H 3 C IC50 = 0.68 nM 442.53 Cn1ccc2c(-c3cnc(N)c(C(=O)Nc4ncccc4N4CCC(N)CC4)n3)cccc21 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3586036 OBDepict H 3 C O HN N N N N N H 3 C N N H F N CH 3 IC50 = 0.68 nM 427.49 COc1cc(Nc2ncc(F)c(NCC3CCN(C)CC3)n2)cc(-n2nnnc2C)c1 Homo sapiens CHEMBL3587275 single protein format
CHEMBL3981769 OBDepict CH 3 O N N F F F N H 2 N NH O N N CH 3 NH 2 IC50 = 0.69 nM 502.5 COc1ccc(C(F)(F)F)c(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)n1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL4526554 OBDepict HO N H HN N N HN N O F F F IC50 = 0.7 nM 516.57 N#Cc1cnc(NCc2ccccc2OC(F)(F)F)nc1NCC12CC3CC(C1)C(NCCO)C(C3)C2 Homo sapiens CHEMBL4370498 single protein format
CHEMBL4289707 OBDepict HO HN H H H H N H N N N H N O F F F IC50 = 0.7 nM 516.57 N#Cc1cnc(NCc2ccccc2OC(F)(F)F)nc1NC[C@@]12C[C@H]3C[C@@H](C1)[C@H](NCCO)[C@H](C3)C2 Homo sapiens CHEMBL4276090 single protein format
CHEMBL3975025 OBDepict H 3 C NH 2 N N N H O N NH 2 N N F IC50 = 0.71 nM 436.5 CCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3F)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL265998 OBDepict CH 3 O O H H H 3 C O OH CH 3 CH 3 H H H O H H 3 C O CH 3 HO Ki = 0.73 nM 488.62 CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@H]3C(=O)C(C)=C[C@H]32)[C@@H]2C(C)(C)[C@]12OC(=O)CCC Homo sapiens CHEMBL771058 single protein format
CHEMBL3914762 OBDepict CH 3 O NH 2 N N N H O N NH 2 N N F F F IC50 = 0.79 nM 516.53 CCOCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL1088737 OBDepict N N N H CH 3 N N H N N H 3 C CH 3 IC50 = 0.84 nM 491.64 Cc1c(Nc2c(C#N)cncc2/C=C/c2cccc(CN3CCC(N(C)C)CC3)n2)ccc2[nH]ccc12 Homo sapiens CHEMBL1105142 single protein format
CHEMBL3963605 OBDepict H 2 N N HN N O N NH 2 N IC50 = 0.84 nM 389.46 Nc1ncc(-c2ccccc2)nc1C(=O)Nc1cnccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3970090 OBDepict NH 2 N N HN O N N F N N N H 3 C H 2 N F F IC50 = 0.85 nM 542.57 CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N4CCC(F)(F)CC4)ncc3F)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3935341 OBDepict N O N N CH 3 CH 3 N NH 2 HN O N N H 3 C H 2 N IC50 = 0.86 nM 487.57 CC(C)Oc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C#N Homo sapiens CHEMBL3889159 single protein format
CHEMBL4092652 OBDepict Cl N N N O N CH 3 O N H IC50 = 0.87 nM 345.79 CN1CCCCOc2ccnc3[nH]c(=O)n(c23)-c2nc1ccc2Cl Homo sapiens CHEMBL4017958 assay format
CHEMBL3943147 OBDepict NH 2 N N N H O N H 2 N N N N F F F CH 3 H 3 C IC50 = 0.87 nM 501.52 CN(C)c1ccc(C(F)(F)F)c(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(N)CC3)n2)n1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL593883 OBDepict H 2 N N N NH N CH 3 N H IC50 = 0.88 nM 400.53 Cc1c(Nc2c(C#N)cncc2/C=C/CCN2CCC(N)CC2)ccc2[nH]ccc12 Homo sapiens CHEMBL1070540 single protein format
CHEMBL3980746 OBDepict NH 2 N N NH O N H 2 N N N F F F O IC50 = 0.88 nM 542.57 Nc1ncc(-c2cc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3892736 OBDepict O HN N NH 2 N N N N Cl H 3 C H 2 N IC50 = 0.9 nM 438.92 CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3Cl)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL4466775 OBDepict N N HN N N H S HN CH 3 H H OH IC50 = 0.94 nM 546.79 CSc1ccccc1CNc1ncc(C#N)c(NCC23CC4CC(C2)C(NC[C@H]2CC[C@H](O)CC2)C(C4)C3)n1 Homo sapiens CHEMBL4370498 single protein format
CHEMBL3951893 OBDepict NH 2 N N N H O N H 2 N N N H F F F IC50 = 0.99 nM 496.5 Nc1ncc(-c2cccc3[nH]c(C(F)(F)F)cc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL2325999 OBDepict N N N F N NH H N HO CH 3 H N CH 3 CH 3 Ki = 1.0 nM 409.47 CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3n[nH]c4ncccc34)c(F)cc2C#N)CCN1 Homo sapiens CHEMBL2329704 single protein format
CHEMBL2326009 OBDepict H 3 C CH 3 OH CH 3 H NH N N F N N H N Ki = 1.0 nM 384.46 CC(C)[C@](C)(O)[C@@H]1CN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)CCN1 Homo sapiens CHEMBL2329704 single protein format
CHEMBL4532737 OBDepict CH 3 H 3 C NH 2 N CH 3 N N H Ki < 1.0 nM 294.4 CCC(C)(CN)c1cccc(-c2ccnc3[nH]nc(C)c23)c1 Homo sapiens CHEMBL4399584 assay format
CHEMBL2326000 OBDepict OH N N F N HN H N OH CH 3 H N H 3 C H 3 C IC50 = 1.0 nM 414.49 CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3n[nH]c4ncccc34)c(F)cc2CO)CCN1 Homo sapiens CHEMBL2330912 cell-based format
CHEMBL4455647 OBDepict N N N H N N H O N H F F F CH 3 H 3 C IC50 < 1.0 nM 514.6 CC(C)NC1C2CC3CC1CC(CNc1nc(NCc4ccccc4OC(F)(F)F)ncc1C#N)(C3)C2 Homo sapiens CHEMBL4370498 single protein format
CHEMBL565612 OBDepict CH 3 N N N N O N H O N H IC50 = 1.0 nM 438.49 CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1 Homo sapiens CHEMBL1040091 single protein format
CHEMBL4545726 OBDepict N N HN N N H O N H F F F O IC50 < 1.0 nM 556.63 N#Cc1cnc(NCc2ccccc2OC(F)(F)F)nc1NCC12CC3CC(C1)C(NC1CCOCC1)C(C3)C2 Homo sapiens CHEMBL4370498 single protein format
CHEMBL3920740 OBDepict H 3 C NH 2 N N N H O N NH 2 N N F F F IC50 = 1.1 nM 486.5 CCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL1084411 OBDepict N N N H CH 3 N N H N N CH 3 IC50 = 1.1 nM 463.59 Cc1c(Nc2c(C#N)cncc2/C=C/c2cccc(CN3CCN(C)CC3)n2)ccc2[nH]ccc12 Homo sapiens CHEMBL1105142 single protein format
CHEMBL3942560 OBDepict N N N N H 2 N N H O N N H 3 C NH 2 IC50 = 1.2 nM 429.49 CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C#N)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3891166 OBDepict H 3 C O F N N N NH 2 HN O N N H 3 C H 2 N IC50 = 1.2 nM 452.49 COc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1F Homo sapiens CHEMBL3889159 single protein format
CHEMBL2151415 OBDepict O N H O N N N N H 3 C N H IC50 = 1.2 nM 438.49 Cn1cc(C2=C(c3nc(N4CCNCC4)nc4ccccc34)C(=O)NC2=O)c2ccccc21 Homo sapiens CHEMBL2156016 single protein format
CHEMBL2153751 OBDepict CH 3 N N N N O N H Cl O N H IC50 = 1.2 nM 472.94 CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3cc(Cl)ccc3n2)CC1 Homo sapiens CHEMBL2156016 single protein format
CHEMBL3970381 OBDepict H 2 N N N HN O N N N F F F F F H 3 C H 2 N IC50 = 1.2 nM 562.55 CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(C4CC(F)(F)C4)ccc3C(F)(F)F)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL1086419 OBDepict N N N H CH 3 N H N O IC50 = 1.2 nM 449.56 Cc1c(Nc2c(C#N)cncc2/C=C/c2cccc(CN3CCOCC3)c2)ccc2[nH]ccc12 Homo sapiens CHEMBL1105142 single protein format
CHEMBL3919244 OBDepict CH 3 O NH 2 N N N H O N NH 2 N N F IC50 = 1.2 nM 452.49 COCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3F)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3960459 OBDepict H 2 N N N N H O N N O N F F F H F H H 2 N IC50 = 1.2 nM 492.44 Nc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ncccc1N1CC[C@@H](N)[C@@H](F)C1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL569108 OBDepict N N HN O H 3 C N H N IC50 = 1.3 nM 461.57 Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CN4CCCCC4)ccc3o2)ccc2[nH]ccc12 Homo sapiens CHEMBL1047183 single protein format
CHEMBL567103 OBDepict N N HN H 3 C O N N H N H 3 C CH 3 IC50 = 1.3 nM 454.58 Cc1c(Nc2c(C#N)cncc2-c2coc(CN3CCC(N(C)C)CC3)c2)ccc2[nH]ccc12 Homo sapiens CHEMBL1037484 single protein format
CHEMBL1088056 OBDepict N N N H CH 3 N H N N H 3 C CH 3 IC50 = 1.3 nM 490.66 Cc1c(Nc2c(C#N)cncc2/C=C/c2ccc(CN3CCC(N(C)C)CC3)cc2)ccc2[nH]ccc12 Homo sapiens CHEMBL1105142 single protein format
CHEMBL3957149 OBDepict H 2 N N N N H O N H 2 N N N N F F F IC50 = 1.3 nM 513.53 Nc1ncc(-c2nc(N3CCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL606148 OBDepict N N N H CH 3 N N H H NH 2 IC50 = 1.3 nM 386.5 Cc1c(Nc2c(C#N)cncc2/C=C/CCN2CC[C@H](N)C2)ccc2[nH]ccc12 Homo sapiens CHEMBL1070540 single protein format
CHEMBL3961086 OBDepict CH 3 O NH 2 N N N H O N NH 2 N N F F F IC50 = 1.3 nM 502.5 COCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)CC1 Homo sapiens CHEMBL3889159 single protein format
CHEMBL3915489 OBDepict NH 2 N N NH O N H 2 N N N O F F F IC50 = 1.3 nM 474.45 Nc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889159 single protein format