HOME LIGAND hPROTEOME OTHERS DOCUMENT

P28845 | DHI1_HUMAN | 11-beta-hydroxysteroid dehydrogenase 1 (HSD11B1)

3D structures mapped by conservation among orthologs

[ Domain: "NAD(P)-binding Rossmann-fold domains" // adh_short_C2 ]

download pymol session

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

download pymol session



[ 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
CHEMBL3897844 OBDepict O NH N S CH 3 O O F O H 2 N IC50 = 0.02 nM 463.58 CN(CC1(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)CC1)S(=O)(=O)c1ccccc1F Homo sapiens CHEMBL3889141 assay format
CHEMBL1096451 OBDepict O N H H N OH IC50 = 0.03 nM 360.54 O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1(O)CCCCC1 Homo sapiens CHEMBL1105684 cell-based format
CHEMBL1098145 OBDepict N N H N H O IC50 = 0.03 nM 363.5 N#Cc1ccc(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cc1 Homo sapiens CHEMBL1105684 cell-based format
CHEMBL1096870 OBDepict O N H H N IC50 = 0.03 nM 330.52 O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCC1 Homo sapiens CHEMBL1105684 cell-based format
CHEMBL1098130 OBDepict CH 3 CH 3 N H NH O IC50 = 0.03 nM 304.48 CC(C)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 Homo sapiens CHEMBL1105684 cell-based format
CHEMBL1098131 OBDepict O N H H N IC50 = 0.03 nM 316.49 O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCC1 Homo sapiens CHEMBL1105684 cell-based format
CHEMBL3609877 OBDepict F Cl S NH O O H 3 C CH 3 NH O O H 2 N IC50 = 0.1 nM 471.98 CC(C)(NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2 Homo sapiens CHEMBL3611791 single protein format
CHEMBL3663670 OBDepict O N H N S CH 3 O O N Cl Cl O H 2 N Cl IC50 = 0.1 nM 563.94 CC1CCN(c2c(Cl)cc(Cl)cc2Cl)S(=O)(=O)N1CC(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2 Homo sapiens CHEMBL3705891 assay format
CHEMBL2152223 OBDepict O N H CH 3 N S H O O CH 3 Cl HO IC50 = 0.1 nM 467.03 Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 Homo sapiens CHEMBL2155280 single protein format
CHEMBL1081251 OBDepict CH 3 N H H N S O O H 3 C CH 3 H 3 C IC50 = 0.11 nM 308.45 CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(C(C)(C)C)cc1 Homo sapiens CHEMBL1101380 cell-based format
CHEMBL3961200 OBDepict Cl S N O O CH 3 NH O O H 2 N IC50 = 0.12 nM 466.0 CN(C1(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)CC1)S(=O)(=O)c1cccc(Cl)c1 Homo sapiens CHEMBL3889141 assay format
CHEMBL3608403 OBDepict Cl Cl S NH O O CH 3 CH 3 N H O O H 2 N IC50 = 0.2 nM 488.44 CC(C)(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2 Homo sapiens CHEMBL3611791 single protein format
CHEMBL3663666 OBDepict O N H N S O O N Cl Cl O NH 2 Cl IC50 = 0.2 nM 549.91 NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 Homo sapiens CHEMBL3705891 assay format
CHEMBL497748 OBDepict Cl N N N H 3 C Cl IC50 = 0.28 nM 358.27 Cn1c(-c2ccccc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1 Homo sapiens CHEMBL995584 single protein format
CHEMBL4073961 OBDepict F N O IC50 = 0.3 nM 341.47 O=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CCCC1 Homo sapiens CHEMBL4016335 assay format
CHEMBL3608400 OBDepict Cl S Cl NH O O CH 3 CH 3 N H O O H 2 N IC50 = 0.3 nM 488.44 CC(C)(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2 Homo sapiens CHEMBL3611791 single protein format
CHEMBL3681931 OBDepict HO H 3 C S N N N F N IC50 = 0.3 nM 410.52 CC1(CO)Cc2nnc(C3(c4ccc(-c5cccnc5)c(F)c4)CC3)n2CCS1 Homo sapiens CHEMBL3705605 assay format
CHEMBL3895758 OBDepict O N H NH S O O F Cl O H 2 N IC50 = 0.3 nM 483.99 NC(=O)C12CC3CC(C1)C(NC(=O)C1(CNS(=O)(=O)c4cccc(Cl)c4F)CC1)C(C3)C2 Homo sapiens CHEMBL3889141 assay format
CHEMBL3664636 OBDepict O O N H 3 C H HO CH 3 CH 3 N O H IC50 = 0.31 nM 446.55 C[C@@H](c1ccc(-c2cc[nH]c(=O)c2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O Homo sapiens CHEMBL3705121 assay format
CHEMBL1097827 OBDepict O N H H N F F F IC50 = 0.32 nM 344.42 O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CCC(F)(F)F Homo sapiens CHEMBL1105684 cell-based format
CHEMBL1097828 OBDepict O N H H N Cl IC50 = 0.32 nM 372.94 O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1ccc(Cl)cc1 Homo sapiens CHEMBL1105684 cell-based format
CHEMBL1097177 OBDepict O N H H N IC50 = 0.32 nM 344.54 O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCCC1 Homo sapiens CHEMBL1105684 cell-based format
CHEMBL1098159 OBDepict N N H N H O IC50 = 0.32 nM 363.5 N#Cc1cccc(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)c1 Homo sapiens CHEMBL1105684 cell-based format
CHEMBL1097178 OBDepict O N H H N F F F IC50 = 0.32 nM 330.39 O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC(F)(F)F Homo sapiens CHEMBL1105684 cell-based format
CHEMBL1080752 OBDepict CH 3 N H H N S O O H 3 C H 3 C CH 3 IC50 = 0.33 nM 322.47 CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(CC(C)(C)C)cc1 Homo sapiens CHEMBL1101380 cell-based format
CHEMBL1095787 OBDepict O NH H N HO IC50 = 0.34 nM 346.52 O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1(O)CCCC1 Homo sapiens CHEMBL1105684 cell-based format
CHEMBL494180 OBDepict HO N N N CH 3 Cl IC50 = 0.34 nM 339.83 Cn1c(-c2ccc(O)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 Homo sapiens CHEMBL995584 single protein format
CHEMBL3963976 OBDepict O N H HN CH 3 CH 3 S O O F F O H 2 N IC50 = 0.36 nM 455.53 CC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2 Homo sapiens CHEMBL3889141 assay format
CHEMBL3287025 OBDepict O N H H N H S CH 3 O O CH 3 Cl H H 3 C CH 3 IC50 = 0.4 nM 453.05 Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C1 Homo sapiens CHEMBL3294007 single protein format
CHEMBL3127854 OBDepict H 3 C O N S H O HN O H HO IC50 = 0.4 nM 378.49 COc1nc([C@H]2CCCO2)c(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)s1 Homo sapiens CHEMBL3132110 single protein format
CHEMBL3127857 OBDepict N O N S H O HN O HO IC50 = 0.4 nM 443.57 N#CC1CC(Oc2nc([C@H]3CCCO3)c(C(=O)NC3C4CC5CC3CC(O)(C5)C4)s2)C1 Homo sapiens CHEMBL3132110 single protein format
CHEMBL3899122 OBDepict O NH NH S O O N CH 3 O H 2 N IC50 = 0.4 nM 470.6 Cn1ccc2cccc(S(=O)(=O)NC3(C(=O)NC4C5CC6CC4CC(C(N)=O)(C6)C5)CC3)c21 Homo sapiens CHEMBL3889141 assay format
CHEMBL3639625 OBDepict O N H N S O O N Cl Cl O NH 2 Cl IC50 = 0.4 nM 563.94 NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 Homo sapiens CHEMBL3705891 assay format
CHEMBL2152217 OBDepict O N H H N H S CH 3 O O CH 3 Cl H H 3 C CH 3 IC50 = 0.4 nM 453.05 Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C1 Homo sapiens CHEMBL2155280 single protein format
CHEMBL3608401 OBDepict O N H HN CH 3 CH 3 S O O F F O H 2 N IC50 = 0.4 nM 455.53 CC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2 Homo sapiens CHEMBL3611791 single protein format
CHEMBL3127868 OBDepict O NH S N H O HO IC50 = 0.43 nM 388.53 O=C(N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1sc(OCC2CC2)nc1C1CC1 Homo sapiens CHEMBL3132110 single protein format
CHEMBL3127856 OBDepict H 3 C O O CH 3 H N S H O N H O HO IC50 = 0.45 nM 436.57 COC[C@H](C)Oc1nc([C@H]2CCCO2)c(C(=O)NC2C3CC4CC2CC(O)(C4)C3)s1 Homo sapiens CHEMBL3132110 single protein format
CHEMBL4109576 OBDepict O N O H H N O N H Cl O H 2 N IC50 = 0.46 nM 458.95 NC(=O)[C@]12CC3CC(C1)[C@@H](OC(=O)N1CC[C@@H](n4c(=O)[nH]c5cccc(Cl)c54)C1)C(C3)C2 Homo sapiens CHEMBL3887392 cell-based format
CHEMBL4108485 OBDepict O N O H S N N O H 3 C IC50 = 0.47 nM 439.58 Cn1ccc(-c2csc([C@H]3CCCN3C(=O)OC3C4CC5CC(C4)CC3C5)n2)cc1=O Homo sapiens CHEMBL3887392 cell-based format
CHEMBL3127855 OBDepict H 3 C O O N S H O N H O HO IC50 = 0.49 nM 422.55 COCCOc1nc([C@H]2CCCO2)c(C(=O)NC2C3CC4CC2CC(O)(C4)C3)s1 Homo sapiens CHEMBL3132110 single protein format
CHEMBL3645514 OBDepict O O N CH 3 H HO CH 3 CH 3 N N O H 3 C CH 3 IC50 = 0.49 nM 489.62 CC(C)n1nc(-c2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)ccc1=O Homo sapiens CHEMBL3705158 assay format
CHEMBL4453347 OBDepict OH CH 3 H 3 C N N N Cl IC50 = 0.5 nM 355.87 CC(C)(CCO)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12 Homo sapiens CHEMBL4329688 cell-based format
CHEMBL4075869 OBDepict OH O N O H 3 C H N F IC50 = 0.5 nM 434.51 C[C@@H](c1ccc(-c2cncc(F)c2)cc1)N1CC[C@](CCCO)(c2ccccc2)OC1=O Homo sapiens CHEMBL4036189 assay format
CHEMBL557417 OBDepict O N IC50 = 0.5 nM 283.42 O=C(N1CCC2(CCCCC2)C1)C1(c2ccccc2)CC1 Homo sapiens CHEMBL1031312 assay format
CHEMBL3318967 OBDepict Cl N N N O O F F F IC50 = 0.5 nM 445.83 FC(F)(F)Oc1ccccc1Oc1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12 Homo sapiens CHEMBL3364416 cell-based format
CHEMBL1642601 OBDepict NH 2 O O H N F O OH CH 3 F F F IC50 = 0.5 nM 522.54 C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@](COC(N)=O)(c3ccc(F)cc3)CC2)cc1)C(F)(F)F Homo sapiens CHEMBL1646333 single protein format
CHEMBL601211 OBDepict NH 2 O Br N N H O IC50 = 0.5 nM 500.48 NC(=O)CC1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2c(Br)cccc21 Homo sapiens CHEMBL1073437 cell-based format
CHEMBL3981658 OBDepict Cl N N N O O IC50 = 0.52 nM 361.87 O=C(OC1C2CC3CC(C2)CC1C3)N1CCC(c2ncc(Cl)cn2)C1 Homo sapiens CHEMBL3887392 cell-based format
CHEMBL4108552 OBDepict O N O H H O N O H 2 N F F F IC50 = 0.54 nM 453.46 NC(=O)[C@]12CC3CC(C1)[C@@H](OC(=O)N1CC[C@H](Oc4ccc(C(F)(F)F)cn4)C1)C(C3)C2 Homo sapiens CHEMBL3887392 cell-based format
CHEMBL4112242 OBDepict F N F O H N O O H O NH 2 IC50 = 0.54 nM 421.44 NC(=O)[C@]12CC3CC(C1)[C@@H](OC(=O)N1CC[C@@H](Oc4ncc(F)cc4F)C1)C(C3)C2 Homo sapiens CHEMBL3887392 cell-based format
CHEMBL1271218 OBDepict O N O H H N H N O H 2 N F F F IC50 = 0.55 nM 452.48 NC(=O)[C@]12CC3CC(C1)[C@@H](OC(=O)N1CC[C@@H](Nc4ncccc4C(F)(F)F)C1)C(C3)C2 Homo sapiens CHEMBL1273472 cell-based format
CHEMBL3645524 OBDepict H 2 N O O N O H 3 C H F IC50 = 0.55 nM 446.52 C[C@@H](c1ccc(-c2ccc(F)cc2)cc1)N1CC[C@](CCC(N)=O)(c2ccccc2)OC1=O Homo sapiens CHEMBL3705158 assay format
CHEMBL3664644 OBDepict N CH 3 H 3 C O N O H 3 C H F N H O IC50 = 0.58 nM 473.55 C[C@@H](c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccc(F)cc2)OC1=O Homo sapiens CHEMBL3705121 assay format
CHEMBL4101787 OBDepict OH O N O H 3 C H N IC50 = 0.6 nM 416.52 C[C@@H](c1ccc(-c2ccncc2)cc1)N1CC[C@](CCCO)(c2ccccc2)OC1=O Homo sapiens CHEMBL4036189 assay format
CHEMBL1642600 OBDepict NH 2 O O F H N O OH CH 3 F F F IC50 = 0.6 nM 522.54 C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@](COC(N)=O)(c3ccccc3F)CC2)cc1)C(F)(F)F Homo sapiens CHEMBL1646333 single protein format
CHEMBL4071232 OBDepict HO N O F IC50 = 0.6 nM 357.47 O=C(CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3)N1CC(CO)C1 Homo sapiens CHEMBL4016335 assay format
CHEMBL4069717 OBDepict H 3 C O N N H 3 C H O O OH H 3 C H 3 C IC50 = 0.6 nM 460.57 COc1ccc(-c2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cn1 Homo sapiens CHEMBL4036189 assay format
CHEMBL3609861 OBDepict O N H HN CH 3 CH 3 S O O F O H 2 N IC50 = 0.6 nM 437.54 CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2 Homo sapiens CHEMBL3611791 single protein format
CHEMBL491326 OBDepict N H H N O OH CH 3 F F F IC50 = 0.6 nM 434.5 C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@H](CC3(C#N)CC3)CC2)cc1)C(F)(F)F Homo sapiens CHEMBL1014487 assay format
CHEMBL3983188 OBDepict O N H HN CH 3 CH 3 S O O F O H 2 N IC50 = 0.6 nM 437.54 CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2 Homo sapiens CHEMBL3889141 assay format
CHEMBL1289521 OBDepict N S O O OH CH 3 F F F IC50 = 0.6 nM 471.5 C[C@](O)(c1ccc(S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2C2CC2)cc1)C(F)(F)F Homo sapiens CHEMBL1291707 single protein format
CHEMBL3639635 OBDepict N H 3 C CH 3 O N O CH 3 H N O CH 3 IC50 = 0.61 nM 469.59 C[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccccc2)OC1=O Homo sapiens CHEMBL3705121 assay format
CHEMBL3318979 OBDepict Cl N N N CH 3 H 3 C IC50 = 0.61 nM 311.82 CC(C)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12 Homo sapiens CHEMBL3364416 cell-based format
CHEMBL1271428 OBDepict O N O H H N H N O H 2 N F F F IC50 = 0.63 nM 452.48 NC(=O)[C@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](Nc4ncccc4C(F)(F)F)C1)C(C3)C2 Homo sapiens CHEMBL1273472 cell-based format
CHEMBL3664719 OBDepict HC CH 3 H 3 C O N O CH 3 H N H O IC50 = 0.65 nM 454.57 C#CC(C)(C)C[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(-c3ccc(=O)[nH]c3)cc2)C(=O)O1 Homo sapiens CHEMBL3705121 assay format
CHEMBL1271427 OBDepict O N O H H N H N O H 2 N F F F IC50 = 0.67 nM 452.48 NC(=O)[C@]12CC3CC(C1)[C@@H](OC(=O)N1CC[C@@H](Nc4cccc(C(F)(F)F)n4)C1)C(C3)C2 Homo sapiens CHEMBL1273472 cell-based format
CHEMBL4110044 OBDepict O N O H H N O N Cl H 3 C O NH 2 IC50 = 0.67 nM 472.97 Cn1c(=O)n([C@H]2CCN(C(=O)O[C@H]3C4CC5CC3C[C@](C(N)=O)(C5)C4)C2)c2c(Cl)cccc21 Homo sapiens CHEMBL3887392 cell-based format
CHEMBL4113055 OBDepict F N F O H N O O H O NH 2 IC50 = 0.68 nM 421.44 NC(=O)[C@]12CC3CC(C1)[C@@H](OC(=O)N1CC[C@H](Oc4ncc(F)cc4F)C1)C(C3)C2 Homo sapiens CHEMBL3887392 cell-based format
CHEMBL4109705 OBDepict O N O H H N O N H Cl O H 2 N IC50 = 0.68 nM 458.95 NC(=O)[C@]12CC3CC(C1)[C@@H](OC(=O)N1CC[C@H](n4c(=O)[nH]c5cccc(Cl)c54)C1)C(C3)C2 Homo sapiens CHEMBL3887392 cell-based format
CHEMBL512355 OBDepict N H H N O OH CH 3 F F F IC50 = 0.7 nM 408.46 C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@H](CCC#N)CC2)cc1)C(F)(F)F Homo sapiens CHEMBL1014487 assay format
CHEMBL3318965 OBDepict Cl N N N O F IC50 = 0.7 nM 379.82 Fc1ccccc1Oc1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12 Homo sapiens CHEMBL3364416 cell-based format
CHEMBL4102283 OBDepict OH N O HO F IC50 = 0.7 nM 435.54 O=C(CC1(c2ccc(-c3ccc(F)cc3)cc2)C2CC3CC1CC(C2)C3O)N1CC(O)C1 Homo sapiens CHEMBL4016335 assay format
CHEMBL4090672 OBDepict F O N O N H S H 3 C H O O CH 3 Br IC50 = 0.7 nM 513.43 C[C@@H](c1ccc(Br)cc1)N1CC[C@](CCCNS(C)(=O)=O)(c2ccc(F)cc2)OC1=O Homo sapiens CHEMBL4036189 assay format
CHEMBL3982412 OBDepict O N O S N N IC50 = 0.7 nM 409.56 O=C(OC1C2CC3CC(C2)CC1C3)N1CCC(c2nc(-c3ccncc3)cs2)C1 Homo sapiens CHEMBL3887392 cell-based format
CHEMBL596620 OBDepict O N N H IC50 = 0.7 nM 364.53 O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC2(Cc3ccccc3C2)C1 Homo sapiens CHEMBL1073437 cell-based format
CHEMBL4060843 OBDepict OH O N O H 3 C H N IC50 = 0.7 nM 416.52 C[C@@H](c1ccc(-c2ccccn2)cc1)N1CC[C@](CCCO)(c2ccccc2)OC1=O Homo sapiens CHEMBL4036189 assay format
CHEMBL3664675 OBDepict N CH 3 H 3 C O N O H 3 C H F N CH 3 O IC50 = 0.72 nM 487.58 C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccc(F)cc2)OC1=O Homo sapiens CHEMBL3705121 assay format
CHEMBL1269894 OBDepict O N O H H N H N O H 2 N F F F IC50 = 0.74 nM 452.48 NC(=O)[C@]12CC3CC(C1)[C@@H](OC(=O)N1CC[C@H](Nc4ccc(C(F)(F)F)cn4)C1)C(C3)C2 Homo sapiens CHEMBL1273472 cell-based format
CHEMBL3664666 OBDepict CH 3 N H O O H 3 C N O H 3 C CH 3 IC50 = 0.75 nM 458.6 CC[C@@H](c1ccc(-c2ccc(=O)n(C(C)C)c2)cc1)N1CC[C@](CC)(c2ccccc2)OC1=O Homo sapiens CHEMBL3705121 assay format
CHEMBL3645526 OBDepict F O N O HO H 3 C CH 3 CH 3 H Br IC50 = 0.76 nM 450.35 C[C@@H](c1ccc(Br)cc1)N1CC[C@](CC(C)(C)O)(c2ccc(F)cc2)OC1=O Homo sapiens CHEMBL3705158 assay format
CHEMBL4114288 OBDepict O N O H H N O N H O NH 2 IC50 = 0.76 nM 424.5 NC(=O)[C@]12CC3CC(C1)[C@@H](OC(=O)N1CC[C@H](n4c(=O)[nH]c5ccccc54)C1)C(C3)C2 Homo sapiens CHEMBL3887392 cell-based format
CHEMBL511828 OBDepict N H H N O OH CH 3 F F F IC50 = 0.76 nM 456.51 C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@H](c3ccc(C#N)cc3)CC2)cc1)C(F)(F)F Homo sapiens CHEMBL1018653 cell-based format
CHEMBL3645520 OBDepict OH O N O F F IC50 = 0.77 nM 409.43 O=C1O[C@@](CCO)(c2ccccc2)CCN1c1cccc(-c2ccc(F)cc2F)c1 Homo sapiens CHEMBL3705158 assay format
CHEMBL3645528 OBDepict Br N CH 3 H O O HO CH 3 CH 3 IC50 = 0.79 nM 432.36 C[C@@H](c1ccc(Br)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O Homo sapiens CHEMBL3705158 assay format
CHEMBL3664671 OBDepict H 3 C N O N H 3 C H O O OH H 3 C H 3 C IC50 = 0.8 nM 474.6 CCn1ccc(-c2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc1=O Homo sapiens CHEMBL3705121 assay format
CHEMBL4087497 OBDepict H 3 C O N O F HO IC50 = 0.8 nM 373.47 COC12CC3CC(C1)C(CC(=O)N1CC(O)C1)(c1ccc(F)cc1)C(C3)C2 Homo sapiens CHEMBL4016335 assay format
CHEMBL4096179 OBDepict F N N CH 3 H O O HO CH 3 CH 3 IC50 = 0.8 nM 448.54 C[C@@H](c1ccc(-c2ccc(F)cn2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O Homo sapiens CHEMBL4036189 assay format
CHEMBL2334144 OBDepict O N H H N S O O CH 3 Cl IC50 = 0.8 nM 398.96 Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1 Homo sapiens CHEMBL2340613 microsome format
CHEMBL1642593 OBDepict NH 2 O H N O OH CH 3 F F F IC50 = 0.8 nM 502.58 C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@](CCC(N)=O)(c3ccccc3)CC2)cc1)C(F)(F)F Homo sapiens CHEMBL1646333 single protein format
CHEMBL4072907 OBDepict N CH 3 CH 3 O N O H 3 C H F Br IC50 = 0.8 nM 459.36 C[C@@H](c1ccc(Br)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccc(F)cc2)OC1=O Homo sapiens CHEMBL4036189 assay format
CHEMBL3663668 OBDepict O N H N S CH 3 N O O H 3 C Cl Cl Cl O H 2 N IC50 = 0.8 nM 537.9 CN(CC(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2)S(=O)(=O)N(C)c1c(Cl)cc(Cl)cc1Cl Homo sapiens CHEMBL3705891 assay format
CHEMBL605544 OBDepict O N N H IC50 = 0.8 nM 338.5 O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC(c2ccccc2)C1 Homo sapiens CHEMBL1073437 cell-based format
CHEMBL469698 OBDepict O N OH H 3 C F F F IC50 = 0.8 nM 355.4 C[C@](O)(c1ccc(C(=O)N(C2CCCCC2)C2CC2)cc1)C(F)(F)F Homo sapiens CHEMBL1021868 single protein format
CHEMBL596621 OBDepict O N NH IC50 = 0.8 nM 364.53 O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(CCc3ccccc32)CC1 Homo sapiens CHEMBL1073437 cell-based format
CHEMBL1271320 OBDepict O N O H H N H N O H 2 N F F F IC50 = 0.82 nM 452.48 NC(=O)[C@]12CC3CC(C1)[C@@H](OC(=O)N1CC[C@@H](Nc4ccc(C(F)(F)F)cn4)C1)C(C3)C2 Homo sapiens CHEMBL1273472 cell-based format
CHEMBL3946300 OBDepict Cl S NH O O CH 3 CH 3 N H O O H 2 N IC50 = 0.83 nM 453.99 CC(C)(NS(=O)(=O)c1cccc(Cl)c1)C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2 Homo sapiens CHEMBL3889141 assay format
CHEMBL3645518 OBDepict H N CH 3 O O N OH H 3 C H 3 C N O IC50 = 0.86 nM 501.63 C[C@@H](c1ccc(-c2ccc(=O)n(CC3CC3)n2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O Homo sapiens CHEMBL3705158 assay format
CHEMBL3664665 OBDepict CH 3 N H O O CH 3 N O H 3 C IC50 = 0.87 nM 430.55 CC[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@](CC)(c2ccccc2)OC1=O Homo sapiens CHEMBL3705121 assay format
CHEMBL1269895 OBDepict N N HN H N O O H O H 2 N IC50 = 0.87 nM 409.49 N#Cc1cccnc1N[C@@H]1CCN(C(=O)O[C@H]2C3CC4CC2C[C@](C(N)=O)(C4)C3)C1 Homo sapiens CHEMBL1273472 cell-based format
CHEMBL508331 OBDepict N CH 3 CH 3 H H N O HO H 3 C F F F IC50 = 0.88 nM 436.52 CC(C)(C#N)C[C@H]1CC[C@H](N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1 Homo sapiens CHEMBL1014487 assay format