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P04150 | GCR_HUMAN | Glucocorticoid receptor (NR3C1)

3D structures mapped by conservation among orthologs

[ Domain: "Nuclear receptor ligand-binding domain" // Hormone_recep ]

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[ Domain: "LIM domain-like" // zf-C4 ]

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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
CHEMBL4104286 OBDepict F N N O H NH H 3 C H O O F F H 3 C O IC50 = 0.02 nM 511.5 C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2c(c1)OCCO2 Homo sapiens CHEMBL4031184 assay format
CHEMBL4061359 OBDepict F N N O H NH H 3 C H O O F F F O IC50 = 0.029 nM 515.46 C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2c(c1)OCCO2 Homo sapiens CHEMBL4031184 assay format
CHEMBL3895181 OBDepict CH 2 O H H H 3 C H HO H H 3 C N H O H 3 C N IC50 = 0.03 nM 484.64 C=CCO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCc3cc(C(=O)Nc4cccnc4C)ccc3[C@@H]12 Homo sapiens CHEMBL3872103 cell-based format
CHEMBL3911831 OBDepict H 3 C S O H N H H 3 C H O F F F N N F IC50 = 0.03 nM 503.52 CSc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(F)(F)F)cc1 Homo sapiens CHEMBL3868161 cell-based format
CHEMBL4086388 OBDepict F N N O H NH H 3 C H O O F F H 3 C IC50 = 0.032 nM 495.5 C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2c(c1)OCC2 Homo sapiens CHEMBL4031184 assay format
CHEMBL3973775 OBDepict F N N O H NH H 3 C H N O F F F IC50 = 0.04 nM 508.48 C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cnc2ccccc2c1 Homo sapiens CHEMBL3868161 cell-based format
CHEMBL3902818 OBDepict F N N O H NH H 3 C H O F F F IC50 = 0.04 nM 507.49 C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2ccccc2c1 Homo sapiens CHEMBL3868161 cell-based format
CHEMBL4072756 OBDepict CH 3 O O H N H H 3 C H O F F F N N F IC50 = 0.049 nM 487.45 COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(F)(F)F)c1 Homo sapiens CHEMBL4031184 assay format
CHEMBL3920760 OBDepict H 3 C O H N H H 3 C H O CH 3 CH 3 CH 3 N N F IC50 = 0.05 nM 473.59 CCc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(C)(C)C)cc1 Homo sapiens CHEMBL3868161 cell-based format
CHEMBL4094154 OBDepict F N N O H NH H 3 C H O O F F H 3 C O IC50 = 0.066 nM 511.5 C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2c(c1)OCOC2 Homo sapiens CHEMBL4031184 assay format
CHEMBL3933702 OBDepict CH 3 OH CH 3 H H O H H Cl N H O H 3 C N IC50 = 0.07 nM 569.15 CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](OCc3ccc(Cl)cc3)C[C@@]21C Homo sapiens CHEMBL3872103 cell-based format
CHEMBL4081121 OBDepict H 3 C N O N S N N O O CH 3 F Ki = 0.08 nM 542.64 Cc1cccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C)ccn3)C2)c1 Homo sapiens CHEMBL4051151 single protein format
CHEMBL3901719 OBDepict CH 3 O O H N H H 3 C H O CH 3 CH 3 CH 3 N N F IC50 = 0.08 nM 475.56 COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(C)(C)C)c1 Homo sapiens CHEMBL3868161 cell-based format
CHEMBL3940724 OBDepict F N N O H N H CH 3 H O N N O CH 3 IC50 = 0.09 nM 471.49 Cc1nc(C(=O)N[C@@H](C)[C@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)c2ccccc2)no1 Homo sapiens CHEMBL3868161 cell-based format
CHEMBL3960682 OBDepict F N N O H N H CH 3 H O N O N H 3 C IC50 = 0.09 nM 471.49 Cc1nnc(C(=O)N[C@@H](C)[C@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)c2ccccc2)o1 Homo sapiens CHEMBL3868161 cell-based format
CHEMBL222900 OBDepict CH 3 OH CH 3 H H H CH 3 O CH 3 O IC50 = 0.1 nM 430.59 CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC)c(C)c3)C[C@@]21C Homo sapiens CHEMBL909042 single protein format
CHEMBL78704 OBDepict CH 3 OH CH 3 O H 3 C Ki = 0.1 nM 414.59 CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@@]21C Homo sapiens CHEMBL681747 single protein format
CHEMBL77779 OBDepict Cl OH H OH Ki = 0.1 nM 366.89 Oc1ccc2c(c1)CC[C@@H]1C[C@@](O)(C#CCl)CC[C@@]21Cc1ccccc1 Homo sapiens CHEMBL681747 single protein format
CHEMBL4088286 OBDepict F N N N O S N O O F F Ki = 0.12 nM 550.56 O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1cc(F)cc(F)c1)C2 Homo sapiens CHEMBL4051151 single protein format
CHEMBL3915997 OBDepict F N N O H NH H 3 C H O F F F IC50 = 0.13 nM 457.43 C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1 Homo sapiens CHEMBL3868161 cell-based format
CHEMBL4067017 OBDepict CH 3 N O N S N N O O F F F Ki = 0.14 nM 564.59 Cc1ccnc(C(=O)[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2ccc(F)c(F)c2)C3)c1 Homo sapiens CHEMBL4051151 single protein format
CHEMBL4105376 OBDepict H 3 C N O N S N N O O H 3 C F Ki = 0.14 nM 542.64 Cc1ccc(C(=O)[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2cccc(C)c2)C3)nc1 Homo sapiens CHEMBL4051151 single protein format
CHEMBL4077976 OBDepict CH 3 N O N S N N O O F F F Ki = 0.14 nM 564.59 Cc1ccnc(C(=O)[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2cc(F)cc(F)c2)C3)c1 Homo sapiens CHEMBL4051151 single protein format
CHEMBL3120318 OBDepict H 3 C O HN S O O H 3 C Ki = 0.146 nM 405.52 CC/C(=C1/c2ccccc2COc2ccccc21)c1cccc(NS(C)(=O)=O)c1 Homo sapiens CHEMBL3122504 cell-based format
CHEMBL4101325 OBDepict N S N O O O N N N CH 3 F Ki = 0.15 nM 553.62 Cc1ccnc(C(=O)[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2cccc(C#N)c2)C3)c1 Homo sapiens CHEMBL4051151 single protein format
CHEMBL4066614 OBDepict F N N O H NH H 3 C H O F F H 3 C O O IC50 = 0.156 nM 511.5 C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2c(c1)COCO2 Homo sapiens CHEMBL4031184 assay format
CHEMBL78625 OBDepict CH 3 HO H OH Ki = 0.17 nM 346.47 CC#C[C@@]1(O)CC[C@@]2(Cc3ccccc3)c3ccc(O)cc3CC[C@@H]2C1 Homo sapiens CHEMBL681748 single protein format
CHEMBL4074627 OBDepict CH 3 N O N S N N O O N F Ki = 0.19 nM 567.65 CCc1ccnc(C(=O)[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2cccc(C#N)c2)C3)c1 Homo sapiens CHEMBL4051151 single protein format
CHEMBL4089006 OBDepict F N N N O S N O O CH 3 H 3 C Ki = 0.2 nM 542.64 Cc1cccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cccc(C)n3)C2)c1 Homo sapiens CHEMBL4051151 single protein format
CHEMBL395716 OBDepict H 3 C O S O H 3 C NH O OH CH 3 H 3 C CH 3 Ki = 0.2 nM 461.58 COCc1ccsc1/C=C1Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 Homo sapiens CHEMBL896162 single protein format
CHEMBL397920 OBDepict CH 3 O N CH 3 S O CH 3 HN O HO CH 3 CH 3 H 3 C IC50 = 0.2 nM 488.61 CO/N=C(C)c1ccsc1/C=C1Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 Homo sapiens CHEMBL896156 cell-based format
CHEMBL1644760 OBDepict HO CH 3 H 3 C H 3 C N H Cl CH 3 N H IC50 = 0.2 nM 354.88 Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(O)C2C Homo sapiens CHEMBL1648954 cell-based format
CHEMBL394369 OBDepict CH 3 O OH O NH H 3 C S CH 3 H 3 C OH IC50 = 0.2 nM 447.56 COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1CO)O2)C(C)=CC(C)(C)N3 Homo sapiens CHEMBL896156 cell-based format
CHEMBL395716 OBDepict H 3 C O S O H 3 C NH O OH CH 3 H 3 C CH 3 IC50 = 0.2 nM 461.58 COCc1ccsc1/C=C1Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 Homo sapiens CHEMBL896156 cell-based format
CHEMBL4096930 OBDepict CH 3 N O N S N N O O F F F F Ki = 0.21 nM 596.61 Cc1ccnc(C(=O)[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C3)c1 Homo sapiens CHEMBL4051151 single protein format
CHEMBL3892759 OBDepict OH HN O CH 3 H O H CH 3 N N F IC50 = 0.21 nM 447.51 CCc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)CO)cc1 Homo sapiens CHEMBL3868161 cell-based format
CHEMBL4096557 OBDepict NH 2 O H N O N N O H HN CH 3 H O F F CH 3 IC50 = 0.21 nM 575.62 C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N3CCC[C@@H]3C(N)=O)c2)c1)c1ccccc1 Homo sapiens CHEMBL4031184 assay format
CHEMBL3120320 OBDepict CH 3 S HN O O Ki = 0.226 nM 375.49 CS(=O)(=O)Nc1cccc(C=C2c3ccccc3CCc3ccccc32)c1 Homo sapiens CHEMBL3122504 cell-based format
CHEMBL4073649 OBDepict F N N N O S N S O O F F Ki = 0.23 nM 556.59 O=C(c1nccs1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(F)c(F)c1)C2 Homo sapiens CHEMBL4051151 single protein format
CHEMBL1276308 OBDepict CH 3 OH CH 3 H H H N CH 3 CH 3 O Ki = 0.24 nM 429.6 CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C Homo sapiens CHEMBL681747 single protein format
CHEMBL3935790 OBDepict H 3 C O O H N H H 3 C H O CH 3 CH 3 CH 3 N N F IC50 = 0.25 nM 475.56 COc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(C)(C)C)cc1 Homo sapiens CHEMBL3868161 cell-based format
CHEMBL3120319 OBDepict CH 3 O HN S O O H 3 C Ki = 0.257 nM 391.49 C/C(=C1/c2ccccc2COc2ccccc21)c1cccc(NS(C)(=O)=O)c1 Homo sapiens CHEMBL3122504 cell-based format
CHEMBL3120317 OBDepict CH 3 O O NH CH 3 S O O CH 3 Ki = 0.268 nM 435.55 CC/C(=C1c2ccccc2OCc2cccc(OC)c21)c1cccc(NS(C)(=O)=O)c1 Homo sapiens CHEMBL3122504 cell-based format
CHEMBL1800984 OBDepict OH O H CH 3 CH 3 N H O N S Ki = 0.3 nM 366.44 CC(C)(C(=O)Nc1nccs1)[C@H]1c2ccccc2Oc2cc(O)ccc21 Homo sapiens CHEMBL1805661 single protein format
CHEMBL270668 OBDepict CH 3 O O N S N N O O CH 3 F Ki = 0.3 nM 511.62 COCCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C)cc1)C2 Homo sapiens CHEMBL950162 single protein format
CHEMBL3421889 OBDepict CH 3 H H 3 C HO HO OH IC50 = 0.3 nM 350.46 CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccccc3)C[C@H]1C=Cc1cc(O)ccc12 Homo sapiens CHEMBL3424571 single protein format
CHEMBL244535 OBDepict CH 3 O OH O NH H 3 C S CH 3 H 3 C O H 3 C IC50 = 0.3 nM 459.57 COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(C)=O)O2)C(C)=CC(C)(C)N3 Homo sapiens CHEMBL896156 cell-based format
CHEMBL3647440 OBDepict CH 3 N N CH 3 N H O H HO F F F IC50 = 0.35 nM 509.57 Cc1cnc(NC(=O)c2ccc3c(c2)CC[C@@H]2C[C@@](O)(C(F)(F)F)CC[C@@]32Cc2ccccc2)c(C)n1 Homo sapiens CHEMBL3707772 single protein format
CHEMBL4204358 OBDepict OH O N H H 3 C H H OH H F H 3 C H F O Ki = 0.39 nM 497.58 C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@H]1CN(c3ccccc3)C[C@]12C(=O)CO Homo sapiens CHEMBL4189813 cell-based format
CHEMBL364368 OBDepict CH OH CH 3 H H H N CH 3 O O CH 3 Ki = 0.4 nM 443.59 C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(C)=O)cc3)C[C@@]21C Homo sapiens CHEMBL875218 single protein format
CHEMBL1762200 OBDepict CH 3 O N H 3 C H 3 C HN F F N H Ki = 0.4 nM 369.42 CCO/N=C1CC(C)(C)Nc2cc(F)c(-c3cccc4cc[nH]c34)c(F)c21 Homo sapiens CHEMBL1762863 assay format
CHEMBL1801006 OBDepict Br HO H CH 3 CH 3 N H O N S Ki = 0.4 nM 431.36 CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc(O)c(Br)c1 Homo sapiens CHEMBL1805661 single protein format
CHEMBL1800982 OBDepict Br OH H CH 3 H 3 C N H O S N N Ki = 0.4 nM 432.34 CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc(O)c(Br)c1 Homo sapiens CHEMBL1805661 single protein format
CHEMBL376264 OBDepict CH 2 O Cl H CH 3 H OH H H 3 C O IC50 = 0.4 nM 477.04 C=CCOc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1Cl Homo sapiens CHEMBL909042 single protein format
CHEMBL221492 OBDepict H 3 C HO H 3 C H H H H 3 C H 3 C O H 3 C O IC50 = 0.4 nM 444.62 CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3cc(C)c(OC)c(C)c3)C[C@@]21C Homo sapiens CHEMBL909042 single protein format
CHEMBL2022858 OBDepict OH O OH CH 3 H H OH H H CH 3 N N F IC50 = 0.4 nM 480.58 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5c(cnn5-c5ccc(F)cc5)C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO Homo sapiens CHEMBL2025282 cell-based format
CHEMBL3937635 OBDepict CH 3 O N O H N H CH 3 H O N N F IC50 = 0.4 nM 460.51 COc1ccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C2CC2)cn1 Homo sapiens CHEMBL3868161 cell-based format
CHEMBL3966490 OBDepict CH 3 OH CH 3 H H O H H N H O H 3 C N IC50 = 0.4 nM 534.7 CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@@H](OCc3ccccc3)C[C@@]21C Homo sapiens CHEMBL3872103 cell-based format
CHEMBL3421892 OBDepict F Cl HO F F F N H O CH 3 N O O IC50 = 0.4 nM 498.86 Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(c4cc(F)ccc4Cl)CCC3)C(F)(F)F)cc12 Homo sapiens CHEMBL3424571 single protein format
CHEMBL4449031 OBDepict F N N HO IC50 = 0.41 nM 374.46 O[C@@]1(c2ccccc2)CCCC[C@@]12C=Cc1c(cnn1-c1ccc(F)cc1)C2 Homo sapiens CHEMBL4327425 cell-based format
CHEMBL3893393 OBDepict H 3 C S OH N H H F F F Cl F O N H 3 C H 3 C IC50 = 0.47 nM 502.96 CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(OC)c(F)c1Cl)C(F)(F)F Homo sapiens CHEMBL3868161 cell-based format
CHEMBL4070919 OBDepict F N N N O S N S O O F F F Ki = 0.48 nM 588.61 O=C(c1nccs1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2 Homo sapiens CHEMBL4051151 single protein format
CHEMBL2426624 OBDepict O NH H 3 C H N S N N N F Ki = 0.48 nM 457.53 CC(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 Homo sapiens CHEMBL2428212 single protein format
CHEMBL270667 OBDepict CH 3 O O N S N N O O F Ki = 0.5 nM 497.59 COCCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccccc1)C2 Homo sapiens CHEMBL950162 single protein format
CHEMBL3706940 OBDepict HO F O CH 3 HN O HO H 3 C CH 3 H 3 C Ki = 0.5 nM 459.52 COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccc(F)cc1CO)O2)C(C)=CC(C)(C)N3 Homo sapiens CHEMBL896649 single protein format
CHEMBL255369 OBDepict CH 3 O N S N N O O CH 3 F Ki = 0.5 nM 467.57 COC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C)cc1)C2 Homo sapiens CHEMBL950162 single protein format
CHEMBL244714 OBDepict H 3 C O N H 3 C S O H 3 C NH O OH CH 3 H 3 C CH 3 IC50 = 0.5 nM 502.64 CCO/N=C(C)c1ccsc1/C=C1Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 Homo sapiens CHEMBL896156 cell-based format
CHEMBL1473 OBDepict F S O O H CH 3 CH 3 O H H 3 C H HO H F CH 3 H F O IC50 = 0.5 nM 500.58 CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C Homo sapiens CHEMBL685131 single protein format
CHEMBL526106 OBDepict CH 3 NH H 3 C O O O H CH 3 CH 3 HO H H HO H F CH 3 O IC50 = 0.5 nM 491.6 CCC(C)NC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C Homo sapiens CHEMBL1002258 single protein format
CHEMBL2021945 OBDepict F N N H 3 C H H H HO H H 3 C HO O S N IC50 = 0.5 nM 573.73 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5c(cnn5-c5ccc(F)cc5)C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CSc1ccccn1 Homo sapiens CHEMBL2025282 cell-based format
CHEMBL1676 OBDepict F S O O H CH 3 CH 3 O H O H OH H F CH 3 H F O Ki = 0.51 nM 538.58 C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF Homo sapiens CHEMBL4189813 cell-based format
CHEMBL4206713 OBDepict OH O N H H 3 C H H OH H F H 3 C H F CH 3 O Ki = 0.52 nM 525.64 Cc1cccc(CN2C[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@]3(C(=O)CO)C2)c1 Homo sapiens CHEMBL4189813 cell-based format
CHEMBL4214152 OBDepict F O N H H 3 C H H OH H F H 3 C H F O Ki = 0.52 nM 499.57 C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@H]1CN(c3ccccc3)C[C@]12C(=O)CF Homo sapiens CHEMBL4189813 cell-based format
CHEMBL4202533 OBDepict F O N H H 3 C H H OH H F H 3 C H F O Ki = 0.52 nM 513.6 C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@H]1CN(Cc3ccccc3)C[C@]12C(=O)CF Homo sapiens CHEMBL4189813 cell-based format
CHEMBL4208957 OBDepict HO O N H CH 3 H H HO H F CH 3 H F CH 3 O Ki = 0.52 nM 525.64 Cc1ccc(CN2C[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@]3(C(=O)CO)C2)cc1 Homo sapiens CHEMBL4189813 cell-based format
CHEMBL4216231 OBDepict OH O N H CH 3 H H HO H F Cl CH 3 H F O Ki = 0.52 nM 532.03 C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@H]1CN(c3cccc(Cl)c3)C[C@]12C(=O)CO Homo sapiens CHEMBL4189813 cell-based format
CHEMBL2426114 OBDepict F N N H H 3 C H 3 C HN S O O CH 3 Ki = 0.53 nM 451.57 CC(C)(CNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 Homo sapiens CHEMBL2428109 single protein format
CHEMBL3605927 OBDepict H 3 C O F N H N H CH 3 H 3 C S O O CH 3 Ki = 0.543 nM 466.58 COc1cc(F)ccc1-c1c(Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(C(C)C)cc12 Homo sapiens CHEMBL3607222 cell-based format
CHEMBL4208840 OBDepict OH O N H CH 3 H H HO H S F CH 3 H F O Ki = 0.57 nM 567.7 C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@H]1CN(Cc3cc4ccccc4s3)C[C@]12C(=O)CO Homo sapiens CHEMBL4189813 cell-based format
CHEMBL4203448 OBDepict O CH 3 H F F H HO H H H 3 C H N O CH 3 Cl Ki = 0.57 nM 530.06 CC(=O)[C@@]12CN(Cc3cccc(Cl)c3)C[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C Homo sapiens CHEMBL4189813 cell-based format
CHEMBL4217173 OBDepict F O O N H CH 3 H H HO H F CH 3 H F Cl O Ki = 0.57 nM 564.04 C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@]12C(=O)OCF Homo sapiens CHEMBL4189813 cell-based format
CHEMBL273658 OBDepict CH 2 O CH 3 N H Cl OH H 3 C H 3 C Ki = 0.58 nM 367.88 C=CCC1Oc2ccc(O)c(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 Homo sapiens CHEMBL874034 cell-based format
CHEMBL4065064 OBDepict F N N N O S N S O O Cl Cl Ki = 0.59 nM 589.5 O=C(c1nccs1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)C2 Homo sapiens CHEMBL4051151 single protein format
CHEMBL2023620 OBDepict F N N H 3 C H H H HO H H 3 C HO O S N N IC50 = 0.6 nM 574.72 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5c(cnn5-c5ccc(F)cc5)C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CSc1ncccn1 Homo sapiens CHEMBL2025282 cell-based format
CHEMBL218214 OBDepict CH 3 OH CH 3 H H H S CH 3 O IC50 = 0.6 nM 432.63 CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(SC)cc3)C[C@@]21C Homo sapiens CHEMBL909042 single protein format
CHEMBL258191 OBDepict CH 3 CH 3 CH 3 N H Cl CH 3 N H Ki = 0.6 nM 338.88 Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C Homo sapiens CHEMBL931536 single protein format
CHEMBL1762210 OBDepict CH 3 O N OH NH F CH 3 CH 3 F N H H 3 C Ki = 0.6 nM 399.44 CCO/N=C1/c2c(cc(F)c(-c3cccc4c(C)c[nH]c34)c2F)NC(C)(C)C1O Homo sapiens CHEMBL1762863 assay format
CHEMBL442803 OBDepict CH 3 O O N S N N O O F F Ki = 0.6 nM 515.58 COCCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(F)cc1)C2 Homo sapiens CHEMBL950162 single protein format
CHEMBL1801009 OBDepict F OH H 3 C H 3 C N H O N S Ki = 0.6 nM 370.45 CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc(O)c(F)c1 Homo sapiens CHEMBL1805661 single protein format
CHEMBL3706942 OBDepict CH 3 O O F O CH 3 HN O HO CH 3 CH 3 H 3 C Ki = 0.6 nM 503.57 COCOCc1cc(F)ccc1/C=C1Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 Homo sapiens CHEMBL896649 single protein format
CHEMBL397919 OBDepict HO N H 3 C S O H 3 C NH O OH CH 3 H 3 C CH 3 Ki = 0.6 nM 474.58 COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1/C(C)=N/O)O2)C(C)=CC(C)(C)N3 Homo sapiens CHEMBL896162 single protein format
CHEMBL257461 OBDepict F N N N N S O O O Ki = 0.6 nM 508.62 O=S(=O)(c1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(CN2CCOCC2)C1 Homo sapiens CHEMBL950162 single protein format
CHEMBL3901337 OBDepict F N N O H N H H 3 C H O IC50 = 0.62 nM 429.5 C[C@H](NC(=O)C1CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1 Homo sapiens CHEMBL3868161 cell-based format
CHEMBL3897280 OBDepict H 3 C O O H HN CH 3 H S O O N N F IC50 = 0.62 nM 495.58 COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NS(=O)(=O)C2CC2)c1 Homo sapiens CHEMBL3868161 cell-based format
CHEMBL2022651 OBDepict OH O OH CH 3 H H OH H H CH 3 N N IC50 = 0.63 nM 462.59 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5c(cnn5-c5ccccc5)C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO Homo sapiens CHEMBL2025282 cell-based format
CHEMBL2426118 OBDepict F N N H H 3 C H 3 C HN S O O F F F Ki = 0.64 nM 519.56 CC(C)(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 Homo sapiens CHEMBL2428109 single protein format
CHEMBL3970276 OBDepict F N N O H NH H 3 C H O H 3 C CH 3 H 3 C IC50 = 0.66 nM 445.54 C[C@H](NC(=O)C(C)(C)C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1 Homo sapiens CHEMBL3868161 cell-based format
CHEMBL4203139 OBDepict OH O N H H 3 C S H O O S H OH H F H 3 C H F O Ki = 0.66 nM 567.68 C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@H]1CN(S(=O)(=O)c3cccs3)C[C@]12C(=O)CO Homo sapiens CHEMBL4189813 cell-based format
CHEMBL4202674 OBDepict OH O N H H 3 C H O O H OH H F H 3 C H F O Ki = 0.66 nM 555.62 C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@H]1CN(C(=O)OCc3ccccc3)C[C@]12C(=O)CO Homo sapiens CHEMBL4189813 cell-based format
CHEMBL4204087 OBDepict OH O N H H 3 C H H OH H F H 3 C H F O Ki = 0.66 nM 511.61 C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@H]1CN(Cc3ccccc3)C[C@]12C(=O)CO Homo sapiens CHEMBL4189813 cell-based format