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Q13464 | ROCK1_HUMAN | Rho-associated protein kinase 1 (ROCK1)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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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
CHEMBL4859660 OBDepict NH 2 N F + N O NH O _ O IC50 = -55800.0 nM 378.36 Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804484 cell-based format
CHEMBL4855542 OBDepict NH 2 N S N O NH IC50 = -11400.0 nM 372.45 Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804484 cell-based format
CHEMBL4753043 OBDepict OH H NH O NH 2 N Ki = 0.2 nM 321.38 NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1 Homo sapiens CHEMBL4668588 assay format
CHEMBL4107027 OBDepict H 3 C N CH 3 O N H O F N CH 3 N CH 3 H H IC50 = 0.2 nM 410.49 Cc1n[nH]cc1-c1cc(OCCN(C)C)c(C(=O)N[C@H](C)c2ccccc2)cc1F Homo sapiens CHEMBL3889185 single protein format
CHEMBL3902471 OBDepict H 3 C O N H O N N H N H O N S N H IC50 = 0.26 nM 488.57 COc1cc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)CNCC4)c2)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL3961538 OBDepict CH 3 O N H O N N H N H O S N N H 3 C IC50 = 0.39 nM 502.6 COc1cc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL3949136 OBDepict H 3 C O HN O N N H HN O N CH 3 IC50 = 0.43 nM 447.54 COc1cc(C(=O)NCc2cccc(C(=O)NC3CCN(C)CC3)c2)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL4763198 OBDepict H 3 C O HN CH 3 H O H 3 C O N IC50 = 0.49 nM 374.44 COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)C(C)Oc2cnccc2-3)c1 Homo sapiens CHEMBL4669835 single protein format
CHEMBL3218297 OBDepict CH 3 S O O HO O N H N H S N OH N IC50 = 0.53 nM 422.49 CS(=O)(=O)O.O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1 Homo sapiens CHEMBL3226383 single protein format
CHEMBL3578252 OBDepict CH 3 O N N H O H 3 C H O CH 3 IC50 = 0.67 nM 388.47 CCC1Oc2cnccc2-c2ccc(C(=O)N[C@H](C)c3cccc(OC)c3)cc21 Homo sapiens CHEMBL4669835 single protein format
CHEMBL4114628 OBDepict H 2 N N H H O O CH 3 N N H IC50 = 0.77 nM 336.4 COc1cc(C(=O)N[C@H](CN)c2ccccc2)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL4791701 OBDepict CH 3 N H O N N H CH 3 H O CH 3 IC50 = 0.8 nM 349.43 CCc1cc(C(=O)N[C@H](C)c2cccc(OC)c2)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL4669818 single protein format
CHEMBL3986802 OBDepict CH 3 O N H O N N H OH IC50 = 0.85 nM 323.35 COc1cc(C(=O)NCc2cccc(O)c2)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL1922045 OBDepict CH 3 O N H O N H N N H IC50 < 1.0 nM 346.39 COc1cccc(CNC(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1 Homo sapiens CHEMBL1924422 single protein format
CHEMBL1922047 OBDepict CH 3 O N H O N H 3 C N N H IC50 < 1.0 nM 360.42 COc1cccc(CNC(=O)c2cn(C)c3cc(-c4cn[nH]c4)ccc23)c1 Homo sapiens CHEMBL1924422 single protein format
CHEMBL1922136 OBDepict CH 3 O N H O N H 3 C N N N H IC50 < 1.0 nM 361.41 COc1cccc(CNC(=O)c2cn(C)c3nc(-c4cn[nH]c4)ccc23)c1 Homo sapiens CHEMBL1924422 single protein format
CHEMBL216574 OBDepict H 3 C N N N O NH 2 N N O N H O N O IC50 <= 1.0 nM 526.56 CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(N5CCOCC5)cc4)c3)cc21 Homo sapiens CHEMBL912268 cell-based format
CHEMBL220080 OBDepict H 2 N N H O O N N N CH 3 N O H 2 N N IC50 <= 1.0 nM 470.49 CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(CN)cc4)c3)cc21 Homo sapiens CHEMBL912268 cell-based format
CHEMBL2333882 OBDepict CH 3 N H 3 C NH O N N H O Cl N N H IC50 < 1.0 nM 436.9 CN(C)CC(=O)NC(c1ccc(Cl)cc1)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1 Homo sapiens CHEMBL2346264 single protein format
CHEMBL3426625 OBDepict CH 3 O O HN O NH 2 N H O F N IC50 < 1.0 nM 512.54 COC(=O)Cc1ccc(NC(=O)c2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3CN)c2)cc1 Homo sapiens CHEMBL3429818 cell-based format
CHEMBL218870 OBDepict H 3 C N N N O H 2 N N N O HN O N CH 3 CH 3 IC50 <= 1.0 nM 498.55 CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(CN(C)C)cc4)c3)cc21 Homo sapiens CHEMBL912268 cell-based format
CHEMBL4250547 OBDepict CH 3 S N H O O N H O S N N H N Ki < 1.0 nM 441.54 CCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1 Homo sapiens CHEMBL4235304 single protein format
CHEMBL376321 OBDepict H 3 C N N N O NH 2 N N O N H O N O IC50 <= 1.0 nM 540.58 CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(CN5CCOCC5)cc4)c3)cc21 Homo sapiens CHEMBL912268 cell-based format
CHEMBL3426624 OBDepict NH 2 N H O NH O F N O O CH 3 IC50 < 1.0 nM 498.51 COC(=O)c1ccc(NC(=O)c2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3CN)c2)cc1 Homo sapiens CHEMBL3429818 cell-based format
CHEMBL2333898 OBDepict Cl H NH H N N H O N N H IC50 = 1.0 nM 391.86 O=c1[nH]c([C@@H]2CNC[C@H]2c2ccc(Cl)cc2)nc2ccc(-c3cn[nH]c3)cc12 Homo sapiens CHEMBL2346264 single protein format
CHEMBL3426623 OBDepict H 3 C O O NH O NH 2 N H O F N IC50 < 1.0 nM 512.54 COC(=O)Cc1cccc(NC(=O)c2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3CN)c2)c1 Homo sapiens CHEMBL3429818 cell-based format
CHEMBL3426622 OBDepict CH 3 O O NH O NH 2 N H O F N IC50 < 1.0 nM 498.51 COC(=O)c1cccc(NC(=O)c2cccc(-c3cc(C(=O)Nc4ccncc4F)ccc3CN)c2)c1 Homo sapiens CHEMBL3429818 cell-based format
CHEMBL429700 OBDepict H 3 C N N N O H 2 N N N O HN O O N CH 3 CH 3 IC50 <= 1.0 nM 528.57 CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN(C)C)cc4)c3)cc21 Homo sapiens CHEMBL912268 cell-based format
CHEMBL4796289 OBDepict NH 2 H N H O O N O H 3 C CH 3 ClH ClH Ki = 1.0 nM 526.46 Cc1ccc(C(=O)OCc2ccc([C@@H](CN)C(=O)Nc3ccc4cnccc4c3)cc2)c(C)c1.Cl.Cl Homo sapiens CHEMBL4669839 assay format
CHEMBL4777515 OBDepict O N H S N O N H N F N H Ki = 1.0 nM 493.61 O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(-c2c[nH]c3ncc(F)cc23)cs1 Homo sapiens CHEMBL4678429 single protein format
CHEMBL3964418 OBDepict H 2 N N H O O CH 3 N N H IC50 = 1.04 nM 350.42 COc1cc(C(=O)NC(CN)Cc2ccccc2)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 1.1 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL973460 single protein format
CHEMBL3913336 OBDepict CH 3 O N H O N N H H 3 C H O CH 3 IC50 = 1.11 nM 351.41 COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL4785041 OBDepict H 3 C O HN CH 3 H O O N IC50 = 1.2 nM 360.41 COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)COc2cnccc2-3)c1 Homo sapiens CHEMBL4669835 single protein format
CHEMBL4747999 OBDepict CH 3 N H HN O N H O H 3 C O N IC50 = 1.2 nM 484.6 CCN1CCC[C@H]1CNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)C(C)Oc2cnccc2-3)c1 Homo sapiens CHEMBL4669835 single protein format
CHEMBL3770836 OBDepict H 2 N NH O N IC50 = 1.2 nM 291.35 NCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1 Homo sapiens CHEMBL3772096 single protein format
CHEMBL4461288 OBDepict CH 3 O B N OH HO N N H IC50 = 1.22 nM 359.19 COc1c(B(O)O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2 Homo sapiens CHEMBL4361940 single protein format
CHEMBL3925017 OBDepict CH 3 O HN O N N H HN O N CH 3 IC50 = 1.24 nM 447.54 COc1cc(-c2cn[nH]c2)ccc1C(=O)NCc1cccc(C(=O)NC2CCN(C)CC2)c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL4204752 OBDepict O N S N H CH 3 CH 3 N IC50 = 1.5 nM 349.46 CC1(C)Nc2cc(-c3ccncc3)sc2C(=O)N1Cc1ccccc1 Homo sapiens CHEMBL4178341 assay format
CHEMBL3957651 OBDepict H 3 C N NH O N H O O CH 3 N N H IC50 = 1.54 nM 461.57 CCN1CCCC1CNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL3910152 OBDepict CH 3 O HN O N N H N H O IC50 = 1.79 nM 404.47 COc1cc(C(=O)NCc2cccc(C(=O)NCC3CC3)c2)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL218868 OBDepict H 3 C N N N O NH 2 N N O HN O CH 3 IC50 = 1.8 nM 379.38 CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(C)=O)c3)cc21 Homo sapiens CHEMBL912268 cell-based format
CHEMBL220241 OBDepict H 3 C N N N O NH 2 N N O N H O O N O IC50 = 1.8 nM 570.61 CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21 Homo sapiens CHEMBL912268 cell-based format
CHEMBL1079921 OBDepict H 3 C N CH 3 HN O O N S N N H IC50 = 2.0 nM 461.59 CN(C)CCCNC(=O)c1ccc2c(c1)CC(c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2 Homo sapiens CHEMBL1099847 single protein format
CHEMBL1922035 OBDepict H 3 C O N H O N H 3 C N N N H IC50 = 2.0 nM 361.41 COc1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4)nc3n2C)c1 Homo sapiens CHEMBL1924422 single protein format
CHEMBL483402 OBDepict H 3 C O N N H N CH 3 N H O F Cl N N H IC50 = 2.0 nM 490.93 COc1cc(C2=NC(c3ccc(Cl)cc3F)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)ccn1 Homo sapiens CHEMBL987092 cell-based format
CHEMBL2334292 OBDepict H N N N O N H H N H H IC50 = 2.0 nM 357.42 O=c1[nH]c([C@@H]2CNC[C@H]2c2ccccc2)nc2ccc(-c3cn[nH]c3)cc12 Homo sapiens CHEMBL2346264 single protein format
CHEMBL575340 OBDepict HN N N N N H NH N IC50 = 2.0 nM 387.49 c1ccc2c(c1)CC(Nc1cc(Nc3ccncc3)nc(N3CCNCC3)n1)C2 Homo sapiens CHEMBL1054435 single protein format
CHEMBL220465 OBDepict H 3 C N N N O H 2 N N N O HN O N H 3 C CH 3 IC50 = 2.0 nM 484.52 CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(N(C)C)cc4)c3)cc21 Homo sapiens CHEMBL912268 cell-based format
CHEMBL523586 OBDepict NH 2 N H H O S F Br N N H IC50 = 2.0 nM 473.37 NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959251 single protein format
CHEMBL1923173 OBDepict CH 3 O N H H 3 C H O N H N N H IC50 = 2.0 nM 360.42 COc1cccc([C@@H](C)NC(=O)c2c[nH]c3cc(-c4cn[nH]c4)ccc23)c1 Homo sapiens CHEMBL1925274 single protein format
CHEMBL4241959 OBDepict H 3 C O N H S O O N H O S N N H N Ki = 2.0 nM 471.56 COCCNS(=O)(=O)c1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1 Homo sapiens CHEMBL4235304 single protein format
CHEMBL4249925 OBDepict O N H S N N H S N O O CH 3 H N Ki = 2.0 nM 427.51 CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1 Homo sapiens CHEMBL4235304 single protein format
CHEMBL4241305 OBDepict CH 3 S N H O O N H O S N N H N Ki = 2.0 nM 455.57 CCCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1 Homo sapiens CHEMBL4235304 single protein format
CHEMBL4244717 OBDepict O HN S N HN S N O O H 3 C H 3 C H N Ki = 2.0 nM 455.57 CC(C)S(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1 Homo sapiens CHEMBL4235304 single protein format
CHEMBL4243658 OBDepict CH 3 S N H O O N H O S N N H N Ki = 2.0 nM 469.59 CCCCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1 Homo sapiens CHEMBL4235304 single protein format
CHEMBL4115244 OBDepict CH 3 O N H O N H 3 C N H 3 C H H O CH 3 IC50 = 2.15 nM 365.43 COc1cccc([C@@H](C)NC(=O)c2ccc(-c3c[nH]nc3C)cc2OC)c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL4113669 OBDepict F N H CH 3 H O HO N N H IC50 = 2.22 nM 325.34 C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(O)c1)c1ccc(F)cc1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL4107997 OBDepict CH 3 NH N H H F F O O CH 3 N N H IC50 = 2.26 nM 400.43 CCNC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1c(F)cccc1F Homo sapiens CHEMBL3889185 single protein format
CHEMBL3956238 OBDepict H 3 C HN O HN O O CH 3 N N H IC50 = 2.39 nM 378.43 CCNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL3947008 OBDepict H 3 C O HN O N N H HN O IC50 = 2.44 nM 390.44 COc1cc(C(=O)NCc2cccc(C(=O)NC3CC3)c2)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL4107343 OBDepict H N N CH 3 HN O HN O H N H IC50 = 2.46 nM 417.51 Cc1cc(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCN3)c2)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL3928809 OBDepict CH 3 O O HN O O CH 3 N N H IC50 = 2.63 nM 365.39 COC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL4244623 OBDepict H 3 C O N H O S N N H N Ki = 3.0 nM 364.43 COc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1 Homo sapiens CHEMBL4235304 single protein format
CHEMBL4240605 OBDepict H 3 C N H S O O N H O S N N H N Ki = 3.0 nM 455.57 CCCNS(=O)(=O)c1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1 Homo sapiens CHEMBL4235304 single protein format
CHEMBL4778806 OBDepict O N H S N O N H F N N H Ki = 3.0 nM 493.61 O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(-c2c[nH]c3nccc(F)c23)cs1 Homo sapiens CHEMBL4678429 single protein format
CHEMBL4245197 OBDepict CH 3 N N O N H O S N N H N Ki = 3.0 nM 476.61 CN1CCN(CCOc2cccc(CC(=O)Nc3nc(-c4c[nH]c5ncccc45)cs3)c2)CC1 Homo sapiens CHEMBL4235304 single protein format
CHEMBL4752045 OBDepict O N H S N N H S N O O CH 3 H N F Ki = 3.0 nM 445.5 CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncc(F)cc34)cs2)c1 Homo sapiens CHEMBL4678429 single protein format
CHEMBL4742150 OBDepict CH 3 N N O N H O S N N H N F Ki = 3.0 nM 494.6 CN1CCN(CCOc2cccc(CC(=O)Nc3nc(-c4c[nH]c5ncc(F)cc45)cs3)c2)CC1 Homo sapiens CHEMBL4678429 single protein format
CHEMBL1922124 OBDepict CH 3 O N CH 3 O N CH 3 N N H IC50 = 3.0 nM 374.44 COc1cccc(CN(C)C(=O)c2cn(C)c3cc(-c4cn[nH]c4)ccc23)c1 Homo sapiens CHEMBL1924422 single protein format
CHEMBL4434688 OBDepict NH 2 N NH O H 3 C H N O H 3 C IC50 = 3.0 nM 444.58 COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccncc3)cc2N2CCC(CN)CC2)c1 Homo sapiens CHEMBL4328666 assay format
CHEMBL521823 OBDepict H 3 C N N N O O H 2 N N N NH IC50 = 3.0 nM 343.39 CCn1c(-c2nonc2N)nc2cncc(OCC3CCNCC3)c21 Homo sapiens CHEMBL1028092 cell-based format
CHEMBL1922128 OBDepict HO N N H O N N H O H 3 C IC50 = 3.0 nM 404.47 COc1cccc(CNC(=O)c2cn(CCCO)c3cc(-c4cn[nH]c4)ccc23)c1 Homo sapiens CHEMBL1924422 single protein format
CHEMBL483574 OBDepict H 3 C O N N H N CH 3 N H O F Cl N N H IC50 = 3.0 nM 490.93 COc1ccc(C2=NC(c3ccc(Cl)cc3F)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cn1 Homo sapiens CHEMBL987092 cell-based format
CHEMBL4245089 OBDepict O N H S N HO N H N Ki = 3.0 nM 350.4 O=C(Cc1cccc(O)c1)Nc1nc(-c2c[nH]c3ncccc23)cs1 Homo sapiens CHEMBL4235304 single protein format
CHEMBL3958305 OBDepict CH 3 HN O HN O O CH 3 N N H IC50 = 3.05 nM 364.4 CNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL4753754 OBDepict CH 3 O N H O N N H H 3 C H F IC50 = 3.1 nM 339.37 COc1cc(C(=O)N[C@H](C)c2ccccc2F)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL4669818 single protein format
CHEMBL3920062 OBDepict CH 3 O N H O N N H N H O CH 3 IC50 = 3.16 nM 404.47 COc1cc(C(=O)NCc2cccc(C(=O)NC3(C)CC3)c2)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL3965274 OBDepict CH 3 O N H O N N H CH 3 F IC50 = 3.17 nM 339.37 COc1cc(C(=O)NC(C)c2ccccc2F)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL4758151 OBDepict H 3 C NH O HN O CH 3 O N IC50 = 3.2 nM 401.47 CCNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)C(C)Oc2cnccc2-3)c1 Homo sapiens CHEMBL4669835 single protein format
CHEMBL3961024 OBDepict H 3 C O NH O N N H NH O OH H 3 C H 3 C IC50 = 3.24 nM 422.49 COc1cc(C(=O)NCc2cccc(C(=O)NCC(C)(C)O)c2)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL3904054 OBDepict CH 3 O N H O N N H Cl F IC50 = 3.26 nM 359.79 COc1cc(-c2cn[nH]c2)ccc1C(=O)NCc1ccc(F)cc1Cl Homo sapiens CHEMBL3889185 single protein format
CHEMBL3969934 OBDepict H 3 C O N H O N N H Cl F IC50 = 3.37 nM 359.79 COc1cc(C(=O)NCc2ccc(F)cc2Cl)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL3977577 OBDepict H N N CH 3 HN O N H O IC50 = 3.38 nM 388.47 Cc1cc(C(=O)NCc2cccc(C(=O)NCC3CC3)c2)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL4107839 OBDepict NH 2 N H H O CH 3 N N H IC50 = 3.38 nM 320.4 Cc1cc(C(=O)N[C@H](CN)c2ccccc2)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL1080279 OBDepict H 3 C O N O N S N H 3 C CH 3 N N H IC50 = 3.5 nM 435.55 COc1cccc(CN(CCN(C)C)C(=O)c2nc3ccc(-c4cn[nH]c4)cc3s2)c1 Homo sapiens CHEMBL1099847 single protein format
CHEMBL4757625 OBDepict O N H S N N H S N O O CH 3 H F N Ki = 4.0 nM 445.5 CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4nccc(F)c34)cs2)c1 Homo sapiens CHEMBL4678429 single protein format
CHEMBL426526 OBDepict H 3 C N N N O H 2 N N N O HN O IC50 = 4.0 nM 441.45 CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccccc4)c3)cc21 Homo sapiens CHEMBL912268 cell-based format
CHEMBL4638815 OBDepict CH 3 O N N O S N N H IC50 = 4.0 nM 388.45 COc1cccc(Cn2cnc3sc(-c4ccnc5[nH]ccc45)cc3c2=O)c1 Homo sapiens CHEMBL4617454 single protein format
CHEMBL2332060 OBDepict H 3 C N NH O O O H 3 C H N N N CH 3 H IC50 = 4.0 nM 449.56 CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(-c2cn[nH]c2)cc1O[C@H]1CCN(C)C1 Homo sapiens CHEMBL2341176 single protein format
CHEMBL483401 OBDepict Cl F N N H CH 3 N H O N Cl N N H IC50 = 4.0 nM 495.35 CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(Cl)cc2F)N=C(c2ccnc(Cl)c2)N1 Homo sapiens CHEMBL987092 cell-based format
CHEMBL2332097 OBDepict CH 3 O N CH 3 N H O N N H IC50 = 4.0 nM 336.4 COc1cccc(CN(C)C(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1 Homo sapiens CHEMBL2341176 single protein format
CHEMBL4065361 OBDepict H N N H 3 C S N O N H N IC50 = 4.1 nM 391.5 Cc1n[nH]cc1-c1cc2nc(C(c3ccccc3)N3CCCC3)[nH]c(=O)c2s1 Homo sapiens CHEMBL4036257 assay format
CHEMBL4749267 OBDepict CH 3 O N H H 3 C H O O N IC50 = 4.1 nM 400.48 COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)C(C2CC2)Oc2cnccc2-3)c1 Homo sapiens CHEMBL4669835 single protein format
CHEMBL3939581 OBDepict H N N CH 3 NH O N H O IC50 = 4.22 nM 374.44 Cc1cc(C(=O)NCc2cccc(C(=O)NC3CC3)c2)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL3939886 OBDepict CH 3 O N H O N N H F F IC50 = 4.25 nM 343.33 COc1cc(-c2cn[nH]c2)ccc1C(=O)NCc1c(F)cccc1F Homo sapiens CHEMBL3889185 single protein format
CHEMBL3960736 OBDepict CH 3 O N H O N N H Cl IC50 = 4.27 nM 341.8 COc1cc(C(=O)NCc2ccccc2Cl)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL3889185 single protein format
CHEMBL4764401 OBDepict CH 3 O N H N N O H H 2 N H Cl Cl IC50 = 4.3 nM 405.29 COc1cc(NC(=O)[C@H](N)Cc2ccc(Cl)c(Cl)c2)ccc1-c1cn[nH]c1 Homo sapiens CHEMBL4669818 single protein format
CHEMBL218257 OBDepict CH 3 O N N N H 3 C N O NH 2 N IC50 = 4.4 nM 260.26 CCn1c(-c2nonc2N)nc2cnc(OC)cc21 Homo sapiens CHEMBL912268 cell-based format
CHEMBL3956875 OBDepict H 2 N N H O O CH 3 N N H IC50 = 4.6 nM 350.42 COc1cc(-c2cn[nH]c2)ccc1C(=O)NC(CN)Cc1ccccc1 Homo sapiens CHEMBL3889185 single protein format