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O14684 | PTGES_HUMAN | Prostaglandin E synthase (PTGES)

3D structures mapped by conservation among orthologs

[ Domain: "MAPEG domain-like" // MAPEG ]

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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
CHEMBL3342696 OBDepict H 3 C O N N H NH O N H O CH 3 Cl Cl F F F Ki = 0.1 nM 551.35 COCc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3c(Cl)cccc3C(F)(F)F)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3896436 OBDepict H 3 C O H 3 C H 3 C HN N N H NH O NH O CH 3 Cl Cl Cl IC50 = 0.1 nM 588.92 COCC(C)(C)CNc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3cc(Cl)ccc3Cl)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3342696 OBDepict H 3 C O N N H NH O N H O CH 3 Cl Cl F F F IC50 = 0.1 nM 551.35 COCc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3c(Cl)cccc3C(F)(F)F)cc2[nH]1 Homo sapiens CHEMBL3388007 single protein format
CHEMBL3971013 OBDepict CH 3 O N N H HN O HN S O F F F IC50 = 0.1 nM 474.46 COCc1nc2c(C(=O)Nc3cccs3)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3956115 OBDepict CH 3 HN Cl O N N H N H O CH 3 H 3 C CH 3 F F F IC50 = 0.2 nM 528.96 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(C(C)(C)C)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3981545 OBDepict CH 3 NH Cl O N N H N HN H O CH 3 CH 3 H 3 C F F F IC50 = 0.2 nM 558.0 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCC(C)(C)C)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3930662 OBDepict CH 3 HN Cl O N HN N N H O F F F IC50 = 0.3 nM 541.96 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(N3CCCC3)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3899486 OBDepict O N H N N H N CH 3 NH H Cl O O F F F CH 3 H 3 C CH 3 IC50 = 0.3 nM 588.03 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCCOC(C)(C)C)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3962760 OBDepict CH 3 HN Cl O N N H N Cl H O F F F IC50 = 0.3 nM 507.3 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(Cl)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3926077 OBDepict H 3 C O CH 3 N H N N H N H O HN O CH 3 Cl Cl Cl IC50 = 0.4 nM 574.9 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)cc2[nH]c(NCCOC(C)C)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL567696 OBDepict N N N N H O OH CH 3 CH 3 CH 3 H 3 C IC50 = 0.4 nM 502.62 CC(C)CCOc1ccc2c(c1)c1cc(CC(C)(C)O)ccc1c1[nH]c(-c3c(C#N)cccc3C#N)nc21 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL3952794 OBDepict H 3 C N H Cl O N NH N N H H O F F F IC50 = 0.4 nM 555.99 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NC3CCCC3)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3892483 OBDepict H 3 C NH Cl O N NH N N H O F F F IC50 = 0.4 nM 555.99 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(N3CCCCC3)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3897304 OBDepict H 3 C O CH 3 N H N N H N H O HN O CH 3 Cl F Cl IC50 = 0.4 nM 558.44 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2c(F)cccc2Cl)cc2[nH]c(NCCOC(C)C)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3979324 OBDepict CH 3 HN Cl O N N H N H O H 3 C H 3 C CH 3 F F F IC50 = 0.4 nM 542.99 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(CC(C)(C)C)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3960895 OBDepict OH N H CH 3 H 3 C N N H N H O HN O CH 3 Cl F Cl IC50 = 0.5 nM 558.44 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2c(F)cccc2Cl)cc2[nH]c(NC(CO)C(C)C)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3970074 OBDepict CH 3 N H Cl O N NH N H O CH 3 F F F IC50 = 0.5 nM 526.95 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(C3(C)CC3)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3920661 OBDepict Cl CH 3 CH 3 N N H N H O HN O CH 3 Cl F F F IC50 = 0.5 nM 563.41 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(C(C)(C)CCl)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3962924 OBDepict Cl Cl HN O N N H O N H CH 3 Cl IC50 = 0.7 nM 513.81 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)cc2[nH]c(C3CC3)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL483894 OBDepict Br N N H N F Cl F F F IC50 = 0.8 nM 520.71 Fc1cccc(Cl)c1-c1nc(-c2ccc(C#Cc3ccc(C(F)(F)F)cc3)nc2)c(Br)[nH]1 Homo sapiens CHEMBL1100219 single protein format
CHEMBL3984205 OBDepict CH 3 H 3 C H 3 C N N H NH O N H O CH 3 Cl F F F IC50 = 0.8 nM 557.02 CCCC(C)(C)c1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3902537 OBDepict CH 3 O N N H N H O HN O Cl Cl CH 3 Cl IC50 = 0.9 nM 531.83 COCCc1nc2c(C(=O)Nc3ccc(C)c(Cl)c3)cc(NC(=O)c3cc(Cl)ccc3Cl)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL521285 OBDepict N N N N H O HO CH 3 CH 3 IC50 = 0.9 nM 500.6 CC(C)(O)Cc1ccc2c(c1)c1cc(OCCC3CC3)ccc1c1nc(-c3c(C#N)cccc3C#N)[nH]c21 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL3342693 OBDepict O N H CH 3 CH 3 N N H O F F N N H H 3 C F F F IC50 = 0.94 nM 495.45 Cc1nc(NC(=O)c2cc(CNC(=O)C(C)C)cnc2C(F)F)[nH]c1-c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL3388002 assay format
CHEMBL3694514 OBDepict F N H Cl O F N N N H CH 3 Cl Cl N H O CH 3 CH 3 H 3 C IC50 = 1.0 nM 594.88 Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cc(F)cc(Cl)c3)c(F)cc21 Homo sapiens CHEMBL3705228 assay format
CHEMBL3986801 OBDepict H 3 C N H 3 C H N N N H HN O N H O H 3 C Cl F F F IC50 = 1.0 nM 585.03 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(N3CC[C@H](N(C)C)C3)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3694509 OBDepict Cl N H O F N N N H H 3 C Cl Cl N H O H 3 C H 3 C CH 3 IC50 = 1.0 nM 576.89 Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cccc(Cl)c3)c(F)cc21 Homo sapiens CHEMBL3705228 assay format
CHEMBL3897430 OBDepict Cl Cl N H O N HN O N H Cl CH 3 IC50 = 1.0 nM 513.81 Cc1ccc(NC(=O)c2cc(NC(=O)c3cc(Cl)ccc3Cl)cc3[nH]c(C4CC4)nc23)cc1Cl Homo sapiens CHEMBL3887736 cell-based format
CHEMBL4102262 OBDepict O NH H N H Cl O OH F F F IC50 = 1.0 nM 523.0 O=C(O)c1ccc(Cl)cc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2)CC1 Homo sapiens CHEMBL3999536 cell-based format
CHEMBL4064335 OBDepict O NH H N H F O OH F F F IC50 = 1.0 nM 506.54 O=C(O)c1ccc(F)cc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2)CC1 Homo sapiens CHEMBL3999536 cell-based format
CHEMBL4084995 OBDepict O NH H N H O O OH F F F IC50 = 1.0 nM 504.55 O=C(O)c1ccccc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(c2ccc(OC(F)(F)F)cc2)CC1 Homo sapiens CHEMBL3999536 cell-based format
CHEMBL4101413 OBDepict O HN H N H N CH 3 O OH IC50 = 1.0 nM 485.63 Cc1cccc2ccc(N3CCC(C(=O)N[C@H]4CCC[C@H]4CCc4ccccc4C(=O)O)CC3)nc12 Homo sapiens CHEMBL3999536 cell-based format
CHEMBL3938686 OBDepict HO H H N H O H H 3 C CH 3 N N CH 3 IC50 = 1.0 nM 409.57 Cc1cccc2ccc(N3CC[C@H](C(=O)N[C@H]4CC[C@@H](CO)CC4)C(C)(C)C3)nc12 Homo sapiens CHEMBL3858503 cell-based format
CHEMBL3956184 OBDepict OH H H N H O H CH 3 H 3 C N N CH 3 IC50 = 1.0 nM 409.57 Cc1cccc2ccc(N3CC[C@H](C(=O)N[C@H]4CCC[C@H](CO)C4)C(C)(C)C3)nc12 Homo sapiens CHEMBL3858503 cell-based format
CHEMBL1683215 OBDepict CH 3 N H CH 3 N O N Cl IC50 = 1.0 nM 518.06 CC(C)NC(=O)N(Cc1cccc(C#Cc2ccc(Cl)cc2)c1)Cc1cccc(C#Cc2cccnc2)c1 Homo sapiens CHEMBL1686170 single protein format
CHEMBL1683214 OBDepict CH 3 N H CH 3 N O N Cl IC50 = 1.0 nM 518.06 CC(C)NC(=O)N(Cc1cccc(C#Cc2ccc(Cl)cc2)c1)Cc1cccc(C#Cc2ccccn2)c1 Homo sapiens CHEMBL1686170 single protein format
CHEMBL3964040 OBDepict O N H N NH N N H O CH 3 H 3 C F F F IC50 = 1.0 nM 507.52 CN(C)c1nc2c(C(=O)Nc3ccc4c(c3)CCC4)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL4085873 OBDepict O NH H N H H 3 C O OH F F F IC50 = 1.0 nM 502.58 Cc1ccc(C(=O)O)c(CC[C@@H]2CCC[C@@H]2NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1 Homo sapiens CHEMBL3999536 cell-based format
CHEMBL3694561 OBDepict F F O N HN O N CH 3 N H F F F N H O CH 3 CH 3 H 3 C IC50 = 1.0 nM 589.57 Cn1c(Nc2c(F)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)Nc3cccc(F)c3)c(OCC(F)F)cc21 Homo sapiens CHEMBL3705228 assay format
CHEMBL4110463 OBDepict O N H N N H N CH 3 H Cl O H O Cl Cl IC50 = 1.0 nM 543.84 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2c(Cl)cccc2Cl)cc2[nH]c([C@H]3CCCO3)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3895415 OBDepict O N H N N H N H Cl O CH 3 H 3 C CH 3 CH 3 F F F IC50 = 1.0 nM 528.96 Cc1ccc(NC(=O)c2cc(NC(=O)c3ccccc3C(F)(F)F)cc3[nH]c(C(C)(C)C)nc23)cc1Cl Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3914711 OBDepict CH 3 HN Cl O N N H N NH H O OH CH 3 H 3 C F F F IC50 = 1.0 nM 559.98 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCC(C)(C)O)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL585763 OBDepict Br N N H OH F F F F F F F Cl IC50 = 1.0 nM 591.71 OC(c1ccc2c(c1)c1cc(Br)ccc1c1nc(-c3c(F)cccc3Cl)[nH]c21)(C(F)(F)F)C(F)(F)F Homo sapiens CHEMBL1050553 cell-based format
CHEMBL3694510 OBDepict O NH F N N F N H CH 3 Cl Cl Cl NH O H 3 C CH 3 H 3 C IC50 = 1.0 nM 594.88 Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(Cl)c(F)c3)c(F)cc21 Homo sapiens CHEMBL3705228 assay format
CHEMBL412099 OBDepict N N N N H Cl IC50 = 1.0 nM 378.82 N#Cc1cccc(C#N)c1-c1nc2c3ccc(Cl)cc3c3ccccc3c2[nH]1 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL3916792 OBDepict Cl Cl NH O N N H O N H N CH 3 H 3 C H 3 C Cl IC50 = 1.0 nM 516.82 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccc(Cl)cc2Cl)cc2[nH]c(N(C)C)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL585116 OBDepict N O N H N Cl N N IC50 = 1.0 nM 461.91 N#CCCCOc1ccc2c(c1)c1cc(Cl)ccc1c1nc(-c3c(C#N)cccc3C#N)[nH]c21 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL585690 OBDepict N N N N H Cl O N IC50 = 1.0 nM 487.95 N#Cc1cccc(C#N)c1-c1nc2c3ccc(Cl)cc3c3cc(OCCn4cccc4)ccc3c2[nH]1 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL565406 OBDepict N F N N N H O HO CH 3 CH 3 IC50 = 1.0 nM 518.59 CC(C)(O)Cc1ccc2c(c1)c1cc(OCCC3CC3)ccc1c1nc(-c3c(C#N)cc(F)cc3C#N)[nH]c21 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL1289402 OBDepict Br N N H N F Cl IC50 = 1.0 nM 452.71 Fc1cccc(Cl)c1-c1nc(-c2ccc(C#Cc3ccccc3)nc2)c(Br)[nH]1 Homo sapiens CHEMBL3606528 cell-based format
CHEMBL3604189 OBDepict CH 3 N H H 3 C N O N IC50 = 1.0 nM 483.62 CC(C)NC(=O)N(Cc1cccc(C#Cc2ccccc2)c1)Cc1cccc(C#Cc2cccnc2)c1 Homo sapiens CHEMBL3606528 cell-based format
CHEMBL567714 OBDepict N N N N H Cl N IC50 = 1.0 nM 479.93 N#Cc1cccc(C#N)c1-c1nc2c3ccc(Cl)cc3c3cc(C#Cc4ccncc4)ccc3c2[nH]1 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL483900 OBDepict N N N N H Cl OH CH 3 CH 3 IC50 = 1.0 nM 460.92 CC(C)(O)C#Cc1ccc2c(c1)c1cc(Cl)ccc1c1nc(-c3c(C#N)cccc3C#N)[nH]c21 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL585134 OBDepict N N N N H Cl HO IC50 = 1.0 nM 486.96 N#Cc1cccc(C#N)c1-c1nc2c3ccc(Cl)cc3c3cc(C#CC4(O)CCCC4)ccc3c2[nH]1 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL585104 OBDepict CH 3 N N H OH H 3 C H 3 C N N IC50 = 1.0 nM 454.53 CCc1ccc2c(c1)c1cc(C#CC(C)(C)O)ccc1c1[nH]c(-c3c(C#N)cccc3C#N)nc21 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL566668 OBDepict N N N N H HO H 3 C CH 3 IC50 = 1.0 nM 490.57 CC(C)(O)C#Cc1ccc2c(c1)c1cc(C#CC3CC3)ccc1c1nc(-c3c(C#N)cccc3C#N)[nH]c21 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL482674 OBDepict N N N N H Cl OH H 3 C H 3 C IC50 = 1.0 nM 464.96 CC(C)(O)CCc1ccc2c(c1)c1cc(Cl)ccc1c1nc(-c3c(C#N)cccc3C#N)[nH]c21 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL1683210 OBDepict CH 3 N H CH 3 N O IC50 = 1.0 nM 446.59 CC(C)NC(=O)N(Cc1cccc(C#Cc2ccccc2)c1)Cc1cccc(C#CC2CC2)c1 Homo sapiens CHEMBL1686170 single protein format
CHEMBL3694508 OBDepict O NH F N N Cl N H CH 3 F Cl Cl NH O H 3 C CH 3 H 3 C IC50 = 1.0 nM 594.88 Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(F)cc21 Homo sapiens CHEMBL3705228 assay format
CHEMBL567493 OBDepict N N N N H O HO CH 3 CH 3 F F F IC50 = 1.0 nM 542.56 CC(C)(O)Cc1ccc2c(c1)c1cc(OCCCC(F)(F)F)ccc1c1nc(-c3c(C#N)cccc3C#N)[nH]c21 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL568565 OBDepict N N N N H Cl N IC50 = 1.0 nM 479.93 N#Cc1cccc(C#N)c1-c1nc2c3ccc(Cl)cc3c3cc(C#Cc4cccnc4)ccc3c2[nH]1 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL3973372 OBDepict CH 3 NH Cl O N N H N + S H O H 3 C _ O F F F IC50 = 1.1 nM 534.95 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c([S+](C)[O-])nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3963963 OBDepict H 3 C N H Cl O N N H N S H O O O H 3 C F F F IC50 = 1.1 nM 550.95 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(S(C)(=O)=O)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL2336518 OBDepict N O O H 3 C N O OH IC50 = 1.1 nM 412.45 COc1cc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)ccc1OCCCC#N Homo sapiens CHEMBL2340533 assay format
CHEMBL3916391 OBDepict CH 3 S N H N N H HN O HN O CH 3 Cl F F F IC50 = 1.2 nM 562.02 CSCCNc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3964736 OBDepict CH 3 N H Cl O N NH N H O F F F F F F IC50 = 1.2 nM 580.92 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(C3(C(F)(F)F)CC3)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL4444875 OBDepict F F O N NH O N H 3 C HN Cl N H O F F F IC50 = 1.2 nM 599.99 Cn1c(Nc2cc(CNC(=O)C3(C(F)(F)F)CC3)ccc2Cl)nc2cc(C(=O)NCC3CC3)c(OCC(F)F)cc21 Homo sapiens CHEMBL4425199 cell-based format
CHEMBL3947321 OBDepict CH 3 NH Cl O N N H N N H O F F F IC50 = 1.3 nM 527.93 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(N3CCC3)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3965972 OBDepict OH CH 3 CH 3 N H N N H N H O HN O CH 3 Cl Cl Cl IC50 = 1.4 nM 574.9 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)cc2[nH]c(NCC(C)(C)CO)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3924377 OBDepict O N H N NH N N H O CH 3 H 3 C H 3 C CH 3 H 3 C F F F IC50 = 1.4 nM 523.56 CN(C)c1nc2c(C(=O)Nc3ccc(C(C)(C)C)cc3)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3925281 OBDepict CH 3 HN Cl O N N H N H O F F F IC50 = 1.5 nM 472.85 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]cnc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3969140 OBDepict CH 3 O N N H HN O N H O CH 3 Cl Br Cl IC50 = 1.5 nM 562.25 COCc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3cc(Cl)ccc3Br)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3925464 OBDepict H 3 C NH Cl O N NH N N H O O F F F IC50 = 1.6 nM 557.96 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(N3CCOCC3)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3910571 OBDepict CH 3 NH Cl O N N H N N H O H 3 C CH 3 F F F IC50 = 1.6 nM 515.92 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(N(C)C)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3909185 OBDepict H 3 C O N N H NH O N H O CH 3 Cl Cl Br IC50 = 1.6 nM 562.25 COCc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3c(Cl)cccc3Br)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3911363 OBDepict CH 3 NH Cl O N N H N N H O H 3 C CH 3 F Cl IC50 = 1.6 nM 500.36 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2c(F)cccc2Cl)cc2[nH]c(N(C)C)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3893624 OBDepict O N H N NH N N H O H 3 C H 3 C CH 3 F F F F F F IC50 = 1.7 nM 563.5 CC(C)(C)c1nc2c(C(=O)NCc3ncccc3C(F)(F)F)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3980968 OBDepict CH 3 O N N H N H O NH N O O F F F Cl IC50 = 1.7 nM 543.89 COCc1nc2c(C(=O)Nc3nc4cc(Cl)ccc4o3)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3942114 OBDepict CH 3 O N N H HN O N H O Cl CH 3 F F F IC50 = 1.8 nM 516.91 COCc1nc2c(C(=O)Nc3ccc(C)cc3Cl)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL517107 OBDepict OH O N S S O O N O OH IC50 = 1.8 nM 378.39 O=C(O)CN1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=S Homo sapiens CHEMBL2340533 assay format
CHEMBL3920783 OBDepict H 3 C O N N H HN O HN O F F F IC50 = 1.9 nM 502.54 COCc1nc2c(C(=O)NCC3CCCCCC3)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3978309 OBDepict O N H N N H N CH 3 N H Cl O H 3 C CH 3 Cl Cl IC50 = 1.9 nM 516.82 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2c(Cl)cccc2Cl)cc2[nH]c(N(C)C)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3951987 OBDepict H 3 C O N N H NH O N H O N F F F IC50 = 1.9 nM 519.48 COCc1nc2c(C(=O)Nc3cccc4cccnc34)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3917059 OBDepict HO N N N H N H O N H O CH 3 Cl F F F IC50 = 1.9 nM 543.93 Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(N3CC(O)C3)nc12 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL3944163 OBDepict CH 3 N H N N H HN O N H O CH 3 Cl F F F IC50 = 1.9 nM 515.92 CCNc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL585295 OBDepict N N N N H Cl S O O CH 3 IC50 = 2.0 nM 533.01 CS(=O)(=O)c1ccc(-c2ccc3c(c2)c2cc(Cl)ccc2c2nc(-c4c(C#N)cccc4C#N)[nH]c32)cc1 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL3914790 OBDepict H 3 C O N N H NH O N H O F F F IC50 = 2.0 nM 518.5 COCc1nc2c(C(=O)Nc3cccc4ccccc34)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1 Homo sapiens CHEMBL3887736 cell-based format
CHEMBL584932 OBDepict Br N N H F Cl IC50 = 2.0 nM 425.69 Fc1cccc(Cl)c1-c1nc2c3ccc(Br)cc3c3ccccc3c2[nH]1 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL4071976 OBDepict O NH H N H O OH F F F IC50 = 2.0 nM 488.55 O=C(O)c1ccccc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2)CC1 Homo sapiens CHEMBL3999536 cell-based format
CHEMBL2336517 OBDepict Cl N H O OH O O N O CH 3 IC50 = 2.0 nM 448.86 CC(c1ccccc1)N1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)O)cc2C1=O Homo sapiens CHEMBL2340533 assay format
CHEMBL3694566 OBDepict F F O N N H O N H 3 C N H F F F Cl F N H O CH 3 CH 3 H 3 C IC50 = 2.0 nM 593.96 Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)NCC(F)(F)F)c(OCC(F)F)cc21 Homo sapiens CHEMBL3705228 assay format
CHEMBL4078000 OBDepict O NH H N H O Cl O OH F F F IC50 = 2.0 nM 524.97 O=C(O)c1ccc(Cl)cc1OC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2)CC1 Homo sapiens CHEMBL3999536 cell-based format
CHEMBL585857 OBDepict H 3 C O N H N Cl N N IC50 = 2.0 nM 446.9 COCC#Cc1ccc2c(c1)c1cc(Cl)ccc1c1nc(-c3c(C#N)cccc3C#N)[nH]c21 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL1683213 OBDepict CH 3 N H H 3 C N O N IC50 = 2.0 nM 483.62 CC(C)NC(=O)N(Cc1cccc(C#Cc2ccccc2)c1)Cc1cncc(C#Cc2ccccc2)c1 Homo sapiens CHEMBL1686170 single protein format
CHEMBL2336520 OBDepict H 3 C O O CH 3 N N S Cl O O Cl O OH IC50 = 2.0 nM 583.45 CCOC(=O)C1=C(C)N=c2s/c(=Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)c(=O)n2C1c1ccccc1Cl Homo sapiens CHEMBL2340533 assay format
CHEMBL1683217 OBDepict CH 3 N H H 3 C N O N Cl IC50 = 2.0 nM 518.06 CC(C)NC(=O)N(Cc1cccc(C#Cc2ccncc2)c1)Cc1cccc(C#Cc2ccc(Cl)cc2)c1 Homo sapiens CHEMBL1686170 single protein format
CHEMBL584927 OBDepict N N N N H Cl OH CH 3 H 3 C IC50 = 2.0 nM 450.93 CC(C)(O)Cc1ccc2c(c1)c1cc(Cl)ccc1c1nc(-c3c(C#N)cccc3C#N)[nH]c21 Homo sapiens CHEMBL1050553 cell-based format
CHEMBL3928608 OBDepict OH H O H N H O H CH 3 H 3 C N N CH 3 IC50 = 2.0 nM 411.55 Cc1cccc2ccc(N3CC[C@H](C(=O)N[C@H]4CCO[C@H](CO)C4)C(C)(C)C3)nc12 Homo sapiens CHEMBL3858503 cell-based format
CHEMBL4063350 OBDepict O NH H N H N O OH F F F IC50 = 2.0 nM 489.54 O=C(O)c1ccccc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 Homo sapiens CHEMBL3999536 cell-based format
CHEMBL4067045 OBDepict Cl N H O OH H H HN O N IC50 = 2.0 nM 455.99 O=C(O)c1ccc(Cl)cc1NC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(c2ccccc2)CC1 Homo sapiens CHEMBL3999536 cell-based format