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O76074 | PDE5A_HUMAN | "cGMP-specific 3',5'-cyclic phosphodiesterase" (PDE5A)

3D structures mapped by conservation among orthologs

[ Domain: "HD-domain/PDEase-like" // PDEase_I ]

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[ Domain: "sensor domains" // GAF ]

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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
CHEMBL1094489 OBDepict H 3 C O N N N NH N H 3 C N N H 3 C H 2 N IC50 = 0.007 nM 438.58 CCOCCn1nc(CC)c2nc(N3CCC(CN)CC3)nc(Nc3cc(C)ccn3)c21 Homo sapiens CHEMBL1106526 assay format
CHEMBL1916483 OBDepict CH 3 O N O N N N H N N O O HO CH 3 IC50 = 0.01 nM 482.54 CCCOCCn1c(=O)nc(NC2CCCC(C(=O)O)C2)c2nnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL1916488 OBDepict CH 3 O N O N N N N N O O OH CH 3 IC50 = 0.01 nM 468.51 CCCOCCn1c(=O)nc(N2CCC(C(=O)O)CC2)c2nnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL1098465 OBDepict CH 3 O N N N HN N CH 3 N H N CH 3 NH IC50 = 0.011 nM 438.58 CCOCCn1nc(CC)c2nc(NCC3CCNCC3)nc(Nc3cc(C)ccn3)c21 Homo sapiens CHEMBL1106526 assay format
CHEMBL1916485 OBDepict CH 3 O N O N N N H N H N H O OH O CH 3 IC50 = 0.02 nM 482.54 CCCOCCn1c(=O)nc(N[C@@H]2CCCC[C@@H]2C(=O)O)c2nnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL1916486 OBDepict CH 3 O N O N N N H N N O CH 3 O OH IC50 = 0.02 nM 482.54 CCCOCCn1c(=O)nc(NC2CCC(C(=O)O)CC2)c2nnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL1916475 OBDepict CH 3 O N O N N N H N N O OH CH 3 IC50 = 0.02 nM 454.53 CCCOCCn1c(=O)nc(NC2CCC(O)CC2)c2nnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL4759667 OBDepict H 3 C N N N CH 3 N O H O S N O O S HN O CH 3 IC50 = 0.025 nM 508.63 CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCS(=N)(=O)CC4)ccc3OCC)nn12 Homo sapiens CHEMBL4709736 cell-based format
CHEMBL3654363 OBDepict CH 3 O Cl O N N N N H O N IC50 = 0.028 nM 465.94 COc1ccc(COc2nc(N3CC4CC4C3)ncc2C(=O)NCc2ccccn2)cc1Cl Homo sapiens CHEMBL3706232 single protein format
CHEMBL410215 OBDepict CH 3 O Cl N H N N N N N N CH 3 O OH IC50 = 0.03 nM 495.97 CCn1ncc2c3c(NCc4ccc(OC)c(Cl)c4)nnc(N4CCC(C(=O)O)CC4)c3cnc21 Homo sapiens CHEMBL762826 assay format
CHEMBL569481 OBDepict CH 3 O N O N N H N N N O CH 3 IC50 = 0.04 nM 446.51 CCCOCCn1c(=O)c(NCc2ccccn2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL1916487 OBDepict CH 3 O N O N N N N N O CH 3 O OH IC50 = 0.04 nM 482.54 CCCOCCn1c(=O)nc(N2CCC(CC(=O)O)CC2)c2nnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL1094365 OBDepict CH 3 O N N N HN N CH 3 N N CH 3 O OH IC50 = 0.04 nM 453.55 CCOCCn1nc(CC)c2nc(N3CCC(C(=O)O)CC3)nc(Nc3cc(C)ccn3)c21 Homo sapiens CHEMBL1106526 assay format
CHEMBL1916476 OBDepict CH 3 O N N N N N H N O O F F F HO IC50 = 0.04 nM 494.47 COc1ccc(-c2cc3c(nn2)c(NC2CCC(O)CC2)nc(=O)n3CCOCC(F)(F)F)cn1 Homo sapiens CHEMBL1919539 single protein format
CHEMBL1916292 OBDepict CH 3 O N O N N H N N O OH CH 3 IC50 = 0.05 nM 453.54 CCCOCCn1c(=O)c(NC2CCC(O)CC2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL1916293 OBDepict CH 3 O N O N N H N N O OH CH 3 IC50 = 0.05 nM 453.54 CCCOCCn1c(=O)nc(NC2CCC(O)CC2)c2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL38735 OBDepict OH N N H H 3 C N Cl O CH 3 IC50 = 0.05 nM 381.86 CCc1cc(C#N)cc2c(NCc3ccc(OC)c(Cl)c3)c(CO)cnc12 Homo sapiens CHEMBL762822 assay format
CHEMBL1916303 OBDepict H 3 C O N O N N NH N N O HO O CH 3 IC50 = 0.05 nM 428.45 CCCOCCn1c(=O)nc(NCCC(=O)O)c2nnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL584270 OBDepict CH 3 O N O N N H N N O O CH 3 IC50 = 0.05 nM 439.52 CCCOCCn1c(=O)c(NCC2CCCO2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL567470 OBDepict CH 3 O N O N N H N H N O H OH CH 3 IC50 = 0.05 nM 453.54 CCCOCCn1c(=O)c(N[C@H]2CC[C@H](O)CC2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL1094249 OBDepict H 3 C O N N H 3 C N NH N N N H 3 C O HO IC50 = 0.05 nM 439.52 CCOCCn1nc(C)c2nc(N3CCC(C(=O)O)CC3)nc(Nc3cc(C)ccn3)c21 Homo sapiens CHEMBL1106526 assay format
CHEMBL1916482 OBDepict H 3 C O N O N N NH N H 3 C H 3 C O HO N O CH 3 IC50 = 0.05 nM 442.48 CCCOCCn1c(=O)nc(NC(C)(C)C(=O)O)c2nnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL4062273 OBDepict CH 3 O Cl N H N N O H 3 C N IC50 = 0.056 nM 420.9 COc1ccc(CNc2c3c(nc4ccc(C#N)cc24)CCN(C(C)=O)C3)cc1Cl Homo sapiens CHEMBL4020495 single protein format
CHEMBL4072903 OBDepict H 3 C N O N N H N Cl O CH 3 IC50 = 0.059 nM 406.87 CCN1Cc2nc3ccc(C#N)cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O Homo sapiens CHEMBL4020495 single protein format
CHEMBL1916489 OBDepict CH 3 O N O N N N N N O OH O CH 3 IC50 = 0.06 nM 468.51 CCCOCCn1c(=O)nc(N2CCCC(C(=O)O)C2)c2nnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL565305 OBDepict CH 3 O N O N N H N N N N O CH 3 IC50 = 0.06 nM 447.5 CCCOCCn1c(=O)c(NCc2cnccn2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL1095121 OBDepict H 3 C N N N N N HN O N NH H CH 3 F F F N IC50 = 0.07 nM 465.48 CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(N3CCN[C@H](C)C3)nc12 Homo sapiens CHEMBL1106508 single protein format
CHEMBL568839 OBDepict H 3 C O N O N HN N N NH O H 3 C O CH 3 IC50 = 0.07 nM 426.48 CCCOCCn1c(=O)c(NCC(=O)NC)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL585918 OBDepict CH 3 O N O N H N N N O N O N CH 3 CH 3 IC50 = 0.07 nM 495.58 CCCOCCn1c(=O)c(NCC(=O)N2CCN(C)CC2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL1094544 OBDepict H 3 C O N N NH N N H 3 C N HN IC50 = 0.07 nM 395.51 CCOCCn1nc(CC)c2nc(N3CCNCC3)nc(Nc3ccccc3)c21 Homo sapiens CHEMBL1106526 assay format
CHEMBL551052 OBDepict CH 3 O N O N H N N N N O O CH 3 IC50 = 0.07 nM 468.56 CCCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1059718 single protein format
CHEMBL1098466 OBDepict H 3 C O N N H 3 C N NH N N N H 3 C H 2 N IC50 = 0.07 nM 424.55 CCOCCn1nc(C)c2nc(N3CCC(CN)CC3)nc(Nc3cc(C)ccn3)c21 Homo sapiens CHEMBL1106526 assay format
CHEMBL1097506 OBDepict H 3 C O N N N NH N H 3 C N N H 3 C HO IC50 = 0.07 nM 439.56 CCOCCn1nc(CC)c2nc(N3CCC(CO)CC3)nc(Nc3cc(C)ccn3)c21 Homo sapiens CHEMBL1106526 assay format
CHEMBL3654365 OBDepict CH 3 O Cl O N N N N H O F IC50 = 0.075 nM 482.94 COc1ccc(COc2nc(N3CC4CC4C3)ncc2C(=O)NCc2ccc(F)cc2)cc1Cl Homo sapiens CHEMBL3706232 single protein format
CHEMBL566598 OBDepict H 3 C O N O N N H N N N O O H 3 C IC50 = 0.08 nM 466.54 CCCOCCn1c(=O)c(NCC(=O)N2CCCC2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL1097823 OBDepict CH 3 O N N N HN N CH 3 N N CH 3 O NH 2 IC50 = 0.08 nM 452.56 CCOCCn1nc(CC)c2nc(N3CCC(C(N)=O)CC3)nc(Nc3cc(C)ccn3)c21 Homo sapiens CHEMBL1106526 assay format
CHEMBL1098141 OBDepict CH 3 O N N N HN N CH 3 N N CH 3 O NH 2 IC50 = 0.08 nM 452.56 CCOCCn1nc(CC)c2nc(N3CCCC(C(N)=O)C3)nc(Nc3cc(C)ccn3)c21 Homo sapiens CHEMBL1106526 assay format
CHEMBL1916291 OBDepict CH 3 O N O N N H N N N O CH 3 O IC50 = 0.08 nM 468.56 CCCOCCn1c(=O)nc(NCCN2CCOCC2)c2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL1094191 OBDepict CH 3 O N N N NH N H 3 C N N CH 3 H 3 C N H 3 C IC50 = 0.087 nM 452.61 CCOCCn1nc(CC)c2nc(N(C)C3CCN(C)CC3)nc(Nc3cc(C)ccn3)c21 Homo sapiens CHEMBL1106526 assay format
CHEMBL566367 OBDepict H 3 C O N O N HN N N OH H 3 C H O CH 3 IC50 = 0.09 nM 413.48 CCCOCCn1c(=O)c(NC[C@H](C)O)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL1916299 OBDepict CH 3 O N O N N N H N N N O CH 3 O IC50 = 0.09 nM 469.55 CCCOCCn1c(=O)nc(NCCN2CCOCC2)c2nnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL1095406 OBDepict H 3 C N N N N N HN O NH F F F F IC50 = 0.09 nM 467.47 CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccc(F)cc3)nc(N3CCNCC3)nc12 Homo sapiens CHEMBL1106508 single protein format
CHEMBL1916490 OBDepict CH 3 O N O N N N N N N O CH 3 O OH IC50 = 0.1 nM 483.53 CCCOCCn1c(=O)nc(N2CCN(CC(=O)O)CC2)c2nnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL1916295 OBDepict CH 3 O N O N N N H N O OH CH 3 IC50 = 0.1 nM 453.54 CCCOCCn1c(=O)nc(NC2CCC(O)CC2)c2ncc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL344018 OBDepict CH 3 O Cl N H N N N H N N N H 3 C N IC50 = 0.1 nM 474.96 CCn1ncc2c3c(NCc4ccc(OC)c(Cl)c4)nnc(NCc4ccncc4)c3cnc21 Homo sapiens CHEMBL762826 assay format
CHEMBL3654362 OBDepict CH 3 O Cl O N N N N H O N N IC50 = 0.1 nM 466.93 COc1ccc(COc2nc(N3CC4CC4C3)ncc2C(=O)NCc2ncccn2)cc1Cl Homo sapiens CHEMBL3706232 single protein format
CHEMBL298295 OBDepict CH 3 O N N + N H O _ O N O N H 3 C H 3 C IC50 = 0.1 nM 357.37 CCCOc1ccc([N+](=O)[O-])cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1 Homo sapiens CHEMBL763673 single protein format
CHEMBL567471 OBDepict H 3 C O N O N HN N N OH H 3 C H O CH 3 IC50 = 0.1 nM 413.48 CCCOCCn1c(=O)c(NC[C@@H](C)O)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL1916290 OBDepict H 3 C O N O N NH N N O O CH 3 H 3 C CH 3 IC50 = 0.1 nM 441.53 CCCOCCn1c(=O)nc(NCCOC(C)C)c2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL566797 OBDepict H 3 C O N O N HN N N O O CH 3 CH 3 IC50 = 0.11 nM 427.51 CCCOCCn1c(=O)c(NCCOCC)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL3654374 OBDepict CH 3 O Cl O N N N HN O IC50 = 0.1188 nM 478.98 COc1ccc(COc2nc(N3CCC4(CC4)C3)ncc2C(=O)NCc2ccccc2)cc1Cl Homo sapiens CHEMBL3706232 single protein format
CHEMBL567445 OBDepict CH 3 O N O N H N N N O N O N CH 3 H 3 C IC50 = 0.13 nM 509.61 CCCOCCn1c(=O)c(NCC(=O)N2CCN(CC)CC2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL1916481 OBDepict H 3 C O N O N N NH N H 3 C H N O HO O CH 3 IC50 = 0.13 nM 428.45 CCCOCCn1c(=O)nc(N[C@H](C)C(=O)O)c2nnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL569264 OBDepict CH 3 O N O N H N N N O N O CH 3 OH IC50 = 0.13 nM 496.57 CCCOCCn1c(=O)c(NCC(=O)N2CCC(O)CC2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL567016 OBDepict CH 3 O N O N N N H N O O CH 3 IC50 = 0.14 nM 453.54 CCCOCCn1c(=O)c(NCC2CCOCC2)nc2ncc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL1098752 OBDepict CH 3 N N N N N HN O N NH H CH 3 F F F N IC50 = 0.14 nM 451.46 Cc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(N3CCN[C@H](C)C3)nc12 Homo sapiens CHEMBL1106508 single protein format
CHEMBL569492 OBDepict H 3 C O N O N HN N H 3 C H N OH O CH 3 IC50 = 0.14 nM 413.48 CCCOCCn1c(=O)c(N[C@H](C)CO)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL139785 OBDepict O N O N HO O N O Ki = 0.15 nM 477.48 O=C(c1ccc(-c2cccnc2)o1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2 Homo sapiens CHEMBL760828 single protein format
CHEMBL565306 OBDepict CH 3 O N O N H N N N O N O O CH 3 IC50 = 0.15 nM 482.54 CCCOCCn1c(=O)c(NCC(=O)N2CCOCC2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL1099069 OBDepict H 3 C N N N N N HN O N NH F F F N IC50 = 0.15 nM 451.46 CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(N3CCNCC3)nc12 Homo sapiens CHEMBL1106508 single protein format
CHEMBL584317 OBDepict H 3 C O N O N N HN N O O CH 3 CH 3 IC50 = 0.17 nM 427.51 CCCOCCn1c(=O)c(NCCOCC)nc2ncc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL245317 OBDepict H 3 C O N N S H N O O P O O OH CH 3 O N N CH 3 CH 3 IC50 = 0.17 nM 595.66 CCCOc1ccc(S(=O)(=O)N2CCC(CP(=O)(O)OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 Homo sapiens CHEMBL762508 assay format
CHEMBL3654361 OBDepict CH 3 O Cl O N N N N H O IC50 = 0.1721 nM 464.95 COc1ccc(COc2nc(N3CC4CC4C3)ncc2C(=O)NCc2ccccc2)cc1Cl Homo sapiens CHEMBL3706232 single protein format
CHEMBL245517 OBDepict H 3 C O N N S H N O O N P O O OH CH 3 O N N CH 3 CH 3 IC50 = 0.18 nM 596.65 CCCOc1ccc(S(=O)(=O)N2CCN(CP(=O)(O)OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 Homo sapiens CHEMBL762508 assay format
CHEMBL590544 OBDepict H 3 C O N O N N N N N O CH 3 OH IC50 = 0.18 nM 482.59 CCCOCCn1c(=O)c(N2CCN(CCCO)CC2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1073645 assay format
CHEMBL3654368 OBDepict CH 3 O Cl O N N N N H O N IC50 = 0.1858 nM 494.0 COc1ccc(COc2nc(N3CCC4(CC3)CC4)ncc2C(=O)NCc2ccccn2)cc1Cl Homo sapiens CHEMBL3706232 single protein format
CHEMBL1097822 OBDepict H 3 C O N N H 3 C N NH N N N H 3 C O H 2 N IC50 = 0.19 nM 438.54 CCOCCn1nc(C)c2nc(N3CCC(C(N)=O)CC3)nc(Nc3cc(C)ccn3)c21 Homo sapiens CHEMBL1106526 assay format
CHEMBL4083986 OBDepict CH 3 N N N H N Cl O CH 3 IC50 = 0.19 nM 406.92 CCN1CCc2nc3ccc(C#N)cc3c(NCc3ccc(OC)c(Cl)c3)c2C1 Homo sapiens CHEMBL4020495 single protein format
CHEMBL591501 OBDepict H 3 C O N O N N N N N O CH 3 HO IC50 = 0.2 nM 468.56 CCCOCCn1c(=O)c(N2CCN(CCO)CC2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1073645 assay format
CHEMBL42988 OBDepict CH 3 O N N N H H N O NH O CH 3 N H 3 C F IC50 = 0.2 nM 450.47 CCCOc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 Homo sapiens CHEMBL763673 single protein format
CHEMBL1094499 OBDepict CH 3 O N N N N H N CH 3 HN N CH 3 NH IC50 = 0.2 nM 424.55 CCOCCn1nc(CC)c2nc(NC3CCNCC3)nc(Nc3cc(C)ccn3)c21 Homo sapiens CHEMBL1106526 assay format
CHEMBL1744059 OBDepict CH 3 O O CH 3 N N N H N OH O O Ki = 0.21 nM 520.55 COc1ccc(-c2cnc(N3Cc4c(nc5ccccc5c4O)[C@H]3c3ccc4c(c3)OCO4)nc2)cc1OC Homo sapiens CHEMBL762496 single protein format
CHEMBL336815 OBDepict CH 3 O O CH 3 N N N N OH O Ki = 0.21 nM 518.57 COc1ccc(-c2cnc(N3Cc4c(nc5ccccc5c4O)C3c3ccc4c(c3)CCO4)nc2)cc1OC Homo sapiens CHEMBL762496 single protein format
CHEMBL590037 OBDepict H 3 C O N O N N N N N O CH 3 OH H 3 C H 3 C IC50 = 0.21 nM 496.61 CCCOCCn1c(=O)c(N2CCN(CC(C)(C)O)CC2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1073645 assay format
CHEMBL3654372 OBDepict H 3 C O Cl O N N N N H O N O IC50 = 0.2127 nM 487.99 COc1ccc(COc2nc(N3CC4CC4C3)ncc2C(=O)NCCN2CCOCC2)cc1Cl Homo sapiens CHEMBL3706232 single protein format
CHEMBL158374 OBDepict O N N OH O O Ki = 0.22 nM 436.47 O=C(/C=C/c1ccccc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2 Homo sapiens CHEMBL762498 single protein format
CHEMBL590280 OBDepict H 3 C O N O N N N N N O CH 3 CH 3 IC50 = 0.22 nM 452.56 CCCOCCn1c(=O)c(N2CCN(CC)CC2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1073645 assay format
CHEMBL1916301 OBDepict OH NH N N O N N O N CH 3 O CH 3 IC50 = 0.22 nM 400.44 CCCOCCn1c(=O)nc(NCCO)c2nnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL130721 OBDepict CH 3 O N N N H N OH O Ki = 0.23 nM 488.55 COc1ccc(-c2cnc(N3Cc4c(nc5ccccc5c4O)[C@H]3c3ccc4c(c3)CCO4)nc2)cc1 Homo sapiens CHEMBL762496 single protein format
CHEMBL351813 OBDepict OH N N H O O O O N Ki = 0.23 nM 441.44 O=C(OCc1ccncc1)N1Cc2c(nc3ccccc3c2O)[C@H]1c1ccc2c(c1)OCO2 Homo sapiens CHEMBL762498 single protein format
CHEMBL590036 OBDepict H 3 C O N O N N N N N O CH 3 OH H 3 C H IC50 = 0.23 nM 482.59 CCCOCCn1c(=O)c(N2CCN(C[C@@H](C)O)CC2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1073645 assay format
CHEMBL342159 OBDepict O N O N OH O O NH S O O CH 3 Ki = 0.24 nM 569.6 CS(=O)(=O)Nc1ccc(-c2ccc(C(=O)N3Cc4c(nc5ccccc5c4O)C3c3ccc4c(c3)OCO4)o2)cc1 Homo sapiens CHEMBL760828 single protein format
CHEMBL566375 OBDepict H 3 C O N O N HN N H 3 C H N OH O CH 3 IC50 = 0.24 nM 413.48 CCCOCCn1c(=O)c(N[C@@H](C)CO)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL567469 OBDepict CH 3 O N O N NH N N NH 2 O H 3 C IC50 = 0.25 nM 398.47 CCCOCCn1c(=O)c(NCCN)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL583854 OBDepict H 3 C O N O N HN N H OH H 3 C N O CH 3 IC50 = 0.25 nM 427.51 CCCOCCn1c(=O)c(N[C@H](CC)CO)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL567447 OBDepict H 3 C O N O N HN N N HO O CH 3 IC50 = 0.26 nM 413.48 CCCOCCn1c(=O)c(NCCCO)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL1916484 OBDepict CH 3 O N O N N N H N H N H O OH O CH 3 IC50 = 0.27 nM 482.54 CCCOCCn1c(=O)nc(N[C@@H]2CCCC[C@H]2C(=O)O)c2nnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL2333219 OBDepict OH N HN N Cl O H 3 C IC50 = 0.277 nM 393.87 COc1ccc(CNc2c(CO)cnc3c(C4CC4)cc(C#N)cc23)cc1Cl Homo sapiens CHEMBL2345130 single protein format
CHEMBL63548 OBDepict CH 3 O N N S N O O N P O HO HO HO N N H 3 C CH 3 IC50 = 0.28 nM 568.59 CCCOc1ccc(S(=O)(=O)N2CCN(CP(=O)(O)O)CC2)cc1-c1nc(O)c2c(n1)c(CCC)nn2C Homo sapiens CHEMBL762508 assay format
CHEMBL569045 OBDepict CH 3 O N O N N N H N N N O CH 3 IC50 = 0.28 nM 447.5 CCCOCCn1c(=O)c(NCc2cnccn2)nc2ncc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1042744 single protein format
CHEMBL1916302 OBDepict CH 3 O N O N N N N N OH O CH 3 IC50 = 0.28 nM 440.5 CCCOCCn1c(=O)nc(N2CCC(O)CC2)c2nnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1919539 single protein format
CHEMBL133687 OBDepict OH N N N N O O N O Ki = 0.29 nM 587.68 Oc1c2c(nc3ccccc13)C(c1ccc3c(c1)CCO3)N(c1ncc(-c3ccc(OCCN4CCOCC4)cc3)cn1)C2 Homo sapiens CHEMBL762496 single protein format
CHEMBL4064315 OBDepict H 3 C N O N N H F F F Cl O CH 3 IC50 = 0.29 nM 449.86 CCN1Cc2nc3ccc(C(F)(F)F)cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O Homo sapiens CHEMBL4020495 single protein format
CHEMBL158817 OBDepict O N O N OH O N O Ki = 0.29 nM 441.44 O=C(OCc1ccncc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2 Homo sapiens CHEMBL762498 single protein format
CHEMBL107349 OBDepict CH 3 O F N N H N O N N CH 3 O CH 3 IC50 = 0.3 nM 443.52 CCn1c(=O)c2c(nc(NC3CCCCC3)n2Cc2ccc(OC)c(F)c2)n(CC)c1=O Homo sapiens CHEMBL760590 single protein format
CHEMBL245315 OBDepict H 3 C O N N S H N O O P O O OH H 3 C O N N CH 3 CH 3 IC50 = 0.3 nM 581.63 CCCOc1ccc(S(=O)(=O)N2CCC(P(=O)(O)OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 Homo sapiens CHEMBL762508 assay format
CHEMBL139998 OBDepict CH 3 HN O N N N N N N H N N H 3 C Cl O H 3 C IC50 = 0.3 nM 491.94 CCn1ncc2c3c(NCc4ccc(OC)c(Cl)c4)nnc(-n4cnc(C(=O)NC)c4)c3cnc21 Homo sapiens CHEMBL762826 assay format
CHEMBL561952 OBDepict CH 3 O N N N N O HN N O CH 3 H 3 C IC50 = 0.3 nM 450.54 COc1ccc(-c2ccc3nc(NCC(=O)N(C)C)c(=O)n(CC4CCCCC4)c3n2)cn1 Homo sapiens CHEMBL1058319 single protein format
CHEMBL560687 OBDepict CH 3 O N N N N O N H O IC50 = 0.3 nM 463.58 COc1ccc(-c2ccc3nc(NCC4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)cn1 Homo sapiens CHEMBL1058319 single protein format
CHEMBL558338 OBDepict CH 3 O N N N N N O N H O IC50 = 0.3 nM 464.57 COc1ncc(-c2ccc3nc(NCC4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)cn1 Homo sapiens CHEMBL1058319 single protein format