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P11473 | VDR_HUMAN | Vitamin D3 receptor (VDR)

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
CHEMBL2058272 OBDepict CH 3 HO H 3 C H 3 C H H CH 3 H H HO H HO H 2 C IC50 = 0.029 nM 430.67 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(O)(CC)CC)C[C@H]1O Homo sapiens CHEMBL2061944 assay format
CHEMBL4159525 OBDepict CH 2 H HO H HO H CH 3 H H 3 C H HO H IC50 = 0.09 nM 518.78 C=C1/C(=CC=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC#C[C@@H](O)C23CC4CC(CC(C4)C2)C3)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL4137805 cell-based format
CHEMBL3264162 OBDepict CH 3 H CH 3 H H HO CH 3 CH 3 H 3 C H H OH H OH CH 2 IC50 = 0.12 nM 458.73 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@H](CCCC)CC(C)(C)O)C[C@H]1O Homo sapiens CHEMBL3267968 assay format
CHEMBL3629552 OBDepict CH 3 H CH 3 H H HO H 3 C H H OH H OH CH 2 IC50 = 0.21 nM 458.73 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@H](CCO)CCCCCC)C[C@H]1O Homo sapiens CHEMBL3632106 assay format
CHEMBL3264160 OBDepict H 3 C H CH 3 H H HO H 3 C H H OH H OH CH 2 IC50 = 0.26 nM 430.67 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@@H](CCO)CCCC)C[C@H]1O Homo sapiens CHEMBL3267968 assay format
CHEMBL3264166 OBDepict CH 3 H CH 3 H H H 3 C HO H 3 C CH 3 H H OH H OH CH 2 IC50 = 0.29 nM 472.75 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@H](CCCC)CCC(C)(C)O)C[C@H]1O Homo sapiens CHEMBL3267968 assay format
CHEMBL2058273 OBDepict CH 3 H H 3 C H H HO CH 3 H 3 C H 3 C H H OH H OH CH 2 IC50 = 0.38 nM 458.73 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@@H](CC)CC(O)(CC)CC)C[C@H]1O Homo sapiens CHEMBL2061944 assay format
CHEMBL2058274 OBDepict H 3 C H H 3 C H H HO CH 3 CH 3 CH 3 H H HO H HO H 2 C IC50 = 0.41 nM 486.78 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@@H](CCCC)CC(O)(CC)CC)C[C@H]1O Homo sapiens CHEMBL2061944 assay format
CHEMBL3263871 OBDepict H 2 C H HO H HO H H 3 C H CH 3 H HO H IC50 = 0.5 nM 518.78 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC#C[C@@H](O)C23CC4CC(CC(C4)C2)C3)C[C@H]1O Homo sapiens CHEMBL3270480 assay format
CHEMBL846 OBDepict CH 2 H HO H HO H CH 3 H H 3 C H OH CH 3 CH 3 IC50 = 0.7 nM 416.65 C=C1/C(=CC=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL912214 single protein format
CHEMBL3264164 OBDepict CH 3 H CH 3 H H H 3 C HO H H OH H OH CH 2 IC50 = 0.89 nM 444.7 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@H](CCCC)CCCO)C[C@H]1O Homo sapiens CHEMBL3267968 assay format
CHEMBL4176277 OBDepict CH 2 O CH 3 H H H 3 C H H HO H HO H 2 C IC50 = 1.1 nM 398.59 C=CC(=O)CC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=C)[C@H](O)C3)CCC[C@@]21C Homo sapiens CHEMBL4137372 assay format
CHEMBL4068172 OBDepict H 3 C H 3 C H OH H 3 C H 3 C CH 2 H OH H OH IC50 = 1.13 nM 416.65 C=C1/C(=CC=C2/CCC[C@]3(C)C(C(C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL3999757 cell-based format
CHEMBL3264163 OBDepict H 3 C H CH 3 H H HO H 3 C CH 3 H 3 C H H OH H OH CH 2 IC50 = 1.55 nM 430.67 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@H](CC)CC(C)(C)O)C[C@H]1O Homo sapiens CHEMBL3267968 assay format
CHEMBL3264169 OBDepict CH 3 H H 3 C H H HO CH 3 H 3 C H 3 C H H OH H OH CH 2 IC50 = 1.55 nM 458.73 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@H](CC)CC(O)(CC)CC)C[C@H]1O Homo sapiens CHEMBL3267968 assay format
CHEMBL4173602 OBDepict CH 2 H HO H HO H CH 3 H H 3 C H HO H IC50 = 1.75 nM 518.78 C=C1/C(=CC=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC#C[C@H](O)C23CC4CC(CC(C4)C2)C3)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL4137805 cell-based format
CHEMBL3264168 OBDepict H 3 C H H 3 C H H HO CH 3 CH 3 CH 3 H H HO H HO H 2 C IC50 = 1.79 nM 486.78 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@H](CCCC)CC(O)(CC)CC)C[C@H]1O Homo sapiens CHEMBL3267968 assay format
CHEMBL4176693 OBDepict H 3 C O CH 3 H H H 3 C H H OH H OH CH 2 IC50 = 1.8 nM 412.61 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(=O)/C=C/C)C[C@H]1O Homo sapiens CHEMBL4137372 assay format
CHEMBL4796961 OBDepict H 2 C H OH H OH H H 3 C H H 3 C H HO H IC50 = 1.86 nM 412.61 C=C1/C(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL4775743 single protein format
CHEMBL4166076 OBDepict H 3 C O CH 3 H H H 3 C H H OH H OH CH 2 IC50 = 1.9 nM 436.64 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(=O)C#C/C=C/C)C[C@H]1O Homo sapiens CHEMBL4137372 assay format
CHEMBL4161578 OBDepict CH 3 O CH 3 H H H 3 C H H OH H OH CH 2 IC50 = 2.3 nM 410.6 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C(=O)/C=C/C=C/C)C[C@H]1O Homo sapiens CHEMBL4137372 assay format
CHEMBL3264167 OBDepict H 3 C H CH 3 H H CH 3 HO CH 3 CH 3 H H HO H HO H 2 C IC50 = 2.39 nM 444.7 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@H](CC)CCC(C)(C)O)C[C@H]1O Homo sapiens CHEMBL3267968 assay format
CHEMBL3264161 OBDepict OH H CH 3 H H 3 C H H 3 C H H OH H OH CH 2 IC50 = 2.87 nM 402.62 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@H](CC)CCO)C[C@H]1O Homo sapiens CHEMBL3267968 assay format
CHEMBL2170202 OBDepict H 2 C H HO H OH H H 3 C H H 3 C H OH H IC50 = 3.0 nM 534.83 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C[C@H](O)CC23CC4CC(CC(C4)C2)C3)C[C@H]1O Homo sapiens CHEMBL2174541 cell-based format
CHEMBL4209452 OBDepict CH 3 H 2 C H OH H HO HO H 3 C CH 3 IC50 = 3.5 nM 468.72 C=C1/C(=CC=C(/CCCCCCC)c2cccc(CCCCCC(C)(C)O)c2)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL4189749 single protein format
CHEMBL4202828 OBDepict H 3 C CH 2 H HO H HO HO CH 3 CH 3 IC50 = 4.5 nM 398.59 C=C1/C(=CC=C(/CC)c2cccc(CCCCCC(C)(C)O)c2)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL4189749 single protein format
CHEMBL3745849 OBDepict H 2 C H HO H OH H H 3 C H HO H IC50 = 5.0 nM 500.72 C=C1[C@H](O)CC(=C/C=C2CCC[C@]3(C)[C@@H](C#CC#C[C@@H](O)C45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O Homo sapiens CHEMBL3751598 single protein format
CHEMBL4202601 OBDepict CH 3 H 2 C H OH H HO HO H 3 C CH 3 IC50 = 5.6 nM 412.61 C=C1/C(=CC=C(/CCC)c2cccc(CCCCCC(C)(C)O)c2)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL4189749 single protein format
CHEMBL3264165 OBDepict HO H CH 3 H H 3 C H H 3 C H H OH H OH CH 2 IC50 = 7.16 nM 416.65 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@H](CC)CCCO)C[C@H]1O Homo sapiens CHEMBL3267968 assay format
CHEMBL4203540 OBDepict H 3 C CH 2 H HO H HO OH H 3 C H 3 C IC50 = 8.3 nM 454.7 C=C1/C(=CC=C(/CCCCCC)c2cccc(CCCCCC(C)(C)O)c2)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL4189749 single protein format
CHEMBL4203464 OBDepict H 3 C CH 2 H HO H HO OH H 3 C H 3 C IC50 = 10.0 nM 426.64 C=C1/C(=CC=C(/CCCC)c2cccc(CCCCCC(C)(C)O)c2)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL4189749 single protein format
CHEMBL403885 OBDepict OH OH H O H 3 C H 3 C CH 3 CH 3 O HO H H 3 C H 3 C CH 3 Ki = 11.0 nM 458.64 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 Homo sapiens CHEMBL1273734 single protein format
CHEMBL272304 OBDepict OH OH H O H 3 C H 3 C CH 3 CH 3 O HO H H 3 C H 3 C CH 3 Ki = 12.0 nM 458.64 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 Homo sapiens CHEMBL1273734 single protein format
CHEMBL3263873 OBDepict H 2 C H HO H OH H H 3 C H H 3 C H OH H IC50 = 12.0 nM 532.81 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC#C[C@@H](O)CC23CC4CC(CC(C4)C2)C3)C[C@H]1O Homo sapiens CHEMBL3270480 assay format
CHEMBL3263870 OBDepict H 2 C H HO H HO H H 3 C H CH 3 H HO H IC50 = 12.0 nM 518.78 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC#C[C@H](O)C23CC4CC(CC(C4)C2)C3)C[C@H]1O Homo sapiens CHEMBL3270480 assay format
CHEMBL3747243 OBDepict H 2 C H HO H OH H H 3 C H HO H IC50 = 12.5 nM 500.72 C=C1[C@H](O)CC(=C/C=C2CCC[C@]3(C)[C@@H](C#CC#C[C@H](O)C45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O Homo sapiens CHEMBL3751598 single protein format
CHEMBL3263872 OBDepict H 2 C H HO H OH H H 3 C H H 3 C H OH H IC50 = 13.0 nM 532.81 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC#C[C@H](O)CC23CC4CC(CC(C4)C2)C3)C[C@H]1O Homo sapiens CHEMBL3270480 assay format
CHEMBL1164227 OBDepict H OH H HO H CH 3 H CH 3 H NH S O O F F F IC50 = 14.0 nM 507.66 C[C@H](CCCCNS(=O)(=O)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C Homo sapiens CHEMBL1167400 single protein format
CHEMBL1165164 OBDepict H OH H OH H H 3 C H H 3 C H N H S O O IC50 = 15.0 nM 515.76 C[C@H](CCCCNS(=O)(=O)c1ccccc1)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C Homo sapiens CHEMBL1167400 single protein format
CHEMBL2172537 OBDepict OH H 3 C H H CH 3 H H CH 2 H HO H HO HO CH 3 CH 3 IC50 = 15.7 nM 516.81 C=C1/C(=CC=C2/CC[C@@H](CCCCCCC(C)(C)O)[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCO)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL2175859 single protein format
CHEMBL4078487 OBDepict CH 3 H CH 3 H H H 3 C HO H HO H OH H OH CH 2 IC50 = 17.0 nM 536.8 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@@H](CCCC)CCC(O)c2ccc(O)cc2)C[C@H]1O Homo sapiens CHEMBL4020379 assay format
CHEMBL376093 OBDepict H 3 C HO H 3 C O CH 3 H H H 3 C H H 2 C H OH H F F IC50 = 19.5 nM 494.71 C=C1/C(=CC=C2/CCC[C@]3(C)[C@@H]([C@@H](C)OCCCC(O)(CC)CC)CC[C@@H]23)C[C@@H](O)C[C@@H]1C(F)F Homo sapiens CHEMBL912214 single protein format
CHEMBL4084720 OBDepict CH 3 H CH 3 H H H 3 C O H HO H OH H OH CH 2 IC50 = 20.0 nM 534.78 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@@H](CCCC)CCC(=O)c2ccc(O)cc2)C[C@H]1O Homo sapiens CHEMBL4020379 assay format
CHEMBL2172539 OBDepict OH CH 3 H H CH 3 H H CH 2 H HO H HO HO CH 3 CH 3 IC50 = 20.9 nM 488.75 C=C1/C(=CC=C2/CC[C@@H](CCCCCCC(C)(C)O)[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CO)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL2175859 single protein format
CHEMBL4062702 OBDepict H 3 C H H 3 C H H CH 3 O H CH 3 OH H HO H HO H 2 C IC50 = 23.0 nM 550.82 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@@H](CCCC)CCC(OC)c2ccc(O)cc2)C[C@H]1O Homo sapiens CHEMBL4020379 assay format
CHEMBL2172538 OBDepict OH H 3 C H H H 3 C H H CH 2 H OH H OH OH CH 3 H 3 C IC50 = 27.3 nM 502.78 C=C1/C(=CC=C2/CC[C@@H](CCCCCCC(C)(C)O)[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCO)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL2175859 single protein format
CHEMBL1165082 OBDepict CH 3 S NH O O CH 3 H H CH 3 H H HO H HO IC50 = 29.0 nM 495.77 CCCCS(=O)(=O)NCCCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C Homo sapiens CHEMBL1167400 single protein format
CHEMBL219315 OBDepict F F H CH 2 H HO H CH 3 H H 3 C H OH CH 3 CH 3 IC50 = 30.0 nM 450.65 C=C1/C(=CC=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1C(F)F Homo sapiens CHEMBL912214 single protein format
CHEMBL3745746 OBDepict H 2 C H HO H OH H H 3 C H OH H IC50 = 35.0 nM 514.75 C=C1[C@H](O)CC(=C/C=C2CCC[C@]3(C)[C@@H](C#CC#C[C@H](O)CC45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O Homo sapiens CHEMBL3751598 single protein format
CHEMBL3747761 OBDepict H 2 C H HO H OH H H 3 C H OH H IC50 = 35.0 nM 514.75 C=C1[C@H](O)CC(=C/C=C2CCC[C@]3(C)[C@@H](C#CC#C[C@@H](O)CC45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O Homo sapiens CHEMBL3751598 single protein format
CHEMBL1164212 OBDepict SH N H O H 3 C H H H 3 C H H OH H HO IC50 = 36.0 nM 449.7 C[C@H](CCCCNC(=O)CS)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C Homo sapiens CHEMBL1167400 single protein format
CHEMBL4088821 OBDepict CH 2 H HO H OH H H 3 C H H 3 C H OH HO IC50 = 36.0 nM 480.69 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(O)c2ccc(O)cc2)C[C@H]1O Homo sapiens CHEMBL4020379 assay format
CHEMBL2436597 OBDepict CH 2 H OH H HO H H 3 C H O H 3 C H H 3 C H OH CH 3 H 3 C IC50 = 38.0 nM 432.65 C=C1[C@H](O)CC(=C/C=C2CCC[C@]3(C)[C@@H]([C@@H](C)OC[C@H](C)C(C)(C)O)CC[C@@H]23)C[C@H]1O Homo sapiens CHEMBL2437623 single protein format
CHEMBL239332 OBDepict CH 2 H OH H HO H CH 3 H H 3 C H O CH 3 CH 3 H 3 C IC50 = 47.0 nM 440.67 C=C1/C(=CC=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)COCC#CC(C)(C)C)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL900974 cell-based format
CHEMBL220140 OBDepict CH 3 HO F F CH 3 H H 3 C H H 2 C H OH H F F H 3 C IC50 = 50.0 nM 512.67 C=C1/C(=CC=C2/CCC[C@]3(C)C([C@H](C)CCC(F)(F)C(O)(CC)CC)=CC[C@@H]23)C[C@@H](O)C[C@@H]1C(F)F Homo sapiens CHEMBL912214 single protein format
CHEMBL4076143 OBDepict CH 3 N HN O H 3 C CH 3 CH 3 HO H 3 C H 3 C N CH 3 H 3 C IC50 = 51.31 nM 479.71 CCn1cc(C(CC)(CC)c2ccc(C#CC(O)(CC)CC)c(C)c2)cc1C(=O)NCCN(C)C Homo sapiens CHEMBL3999757 cell-based format
CHEMBL4105311 OBDepict CH 3 N H 3 C NH O N CH 3 CH 3 CH 3 CH 3 HO H 3 C CH 3 IC50 = 56.48 nM 507.76 CCN(CC)CCNC(=O)c1cc(C(CC)(CC)c2ccc(C#CC(O)(CC)CC)c(C)c2)cn1CC Homo sapiens CHEMBL3999757 cell-based format
CHEMBL4797676 OBDepict CH 3 CH 3 N CH 3 H 3 C N H O O N OH CH 3 N H 3 C IC50 = 57.19 nM 498.71 CCn1cc(C(CC)(CC)c2ccc(OCC(C)O)c(C)c2)cc1C(=O)NCCN1CCN(C)CC1 Homo sapiens CHEMBL4775743 single protein format
CHEMBL239117 OBDepict H 2 C H HO H OH H CH 3 H CH 3 H O IC50 = 63.0 nM 436.64 C=C1/C(=CC=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)COCc2ccccc2)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL900974 cell-based format
CHEMBL3747730 OBDepict CH 3 N H 3 C N H O N H 3 C CH 3 CH 3 CH 3 O HO H 3 C H 3 C CH 3 IC50 = 71.06 nM 527.79 CCN(CC)CCCNC(=O)c1ccc(C(CC)(CC)c2ccc(OCC(O)C(C)(C)C)c(C)c2)n1CC Homo sapiens CHEMBL3749446 single protein format
CHEMBL4089250 OBDepict CH 3 N H 3 C NH O N CH 3 H 3 C CH 3 CH 3 HO H 3 C H 3 C IC50 = 73.21 nM 507.76 CCN(CC)CCNC(=O)c1ccc(C(CC)(CC)c2ccc(C#CC(O)(CC)CC)c(C)c2)n1CC Homo sapiens CHEMBL3999757 cell-based format
CHEMBL3747640 OBDepict CH 3 N H 3 C NH O N CH 3 H 3 C CH 3 CH 3 O HO H 3 C H 3 C CH 3 IC50 = 76.76 nM 513.77 CCN(CC)CCNC(=O)c1ccc(C(CC)(CC)c2ccc(OCC(O)C(C)(C)C)c(C)c2)n1CC Homo sapiens CHEMBL3999757 cell-based format
CHEMBL4790775 OBDepict OH NH HO O N H 3 C CH 3 CH 3 CH 3 O OH CH 3 IC50 = 81.59 nM 432.56 CCn1cc(C(CC)(CC)c2ccc(OCC(C)O)c(C)c2)cc1C(=O)NC(O)CO Homo sapiens CHEMBL4775743 single protein format
CHEMBL4084385 OBDepict CH 2 H HO H OH H H 3 C H H 3 C H O HO IC50 = 84.0 nM 478.67 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(=O)c2ccc(O)cc2)C[C@H]1O Homo sapiens CHEMBL4020379 assay format
CHEMBL239748 OBDepict CH 2 H 3 C H 3 C CH 3 O H 3 C H H CH 3 H CH 2 H HO H HO IC50 = 85.0 nM 442.68 C=C1/C(=CC=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)COCC(=C)C(C)(C)C)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL900974 cell-based format
CHEMBL4061802 OBDepict CH 3 N H 3 C H 3 C CH 3 HN O O OH HO H 3 C H 3 C IC50 = 85.66 nM 466.62 CCn1c(C(=O)NCC(=O)O)ccc1C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1 Homo sapiens CHEMBL3999757 cell-based format
CHEMBL1164992 OBDepict HO N H O CH 3 CH 3 H H CH 3 H H HO H OH IC50 = 87.0 nM 429.6 CC(/C=C/C(=O)NO)=C[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@H](O)C[C@H](O)C3)CCC[C@@]21C Homo sapiens CHEMBL1167400 single protein format
CHEMBL4288947 OBDepict H 3 C S O CH 3 N CH 3 CH 3 H 3 C NH O N H 3 C CH 3 IC50 = 89.1 nM 473.73 CCN(CC)CCNC(=O)c1ccc(C(CC)(CC)c2ccc(OCSC)c(C)c2)n1CC Homo sapiens CHEMBL4275701 single protein format
CHEMBL4782740 OBDepict H 3 C N CH 3 N H O N CH 3 H 3 C CH 3 CH 3 O HO CH 3 CH 3 IC50 = 92.51 nM 513.77 CCN(CC)CCCNC(=O)c1ccc(C(CC)(CC)c2ccc(OCCC(C)(C)O)c(C)c2)n1CC Homo sapiens CHEMBL4775743 single protein format
CHEMBL4096517 OBDepict H 3 C O HO H 3 C H H H 3 C H H HO H OH CH 2 IC50 = 102.0 nM 494.72 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(OC)c2ccc(O)cc2)C[C@H]1O Homo sapiens CHEMBL4020379 assay format
CHEMBL1271042 OBDepict CH 3 CH 3 H H N H O CH 3 H NH 2 H OH H HO IC50 = 107.0 nM 504.72 CC(/C=C/C(=O)Nc1ccccc1N)=C[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C Homo sapiens CHEMBL1272648 single protein format
CHEMBL2434990 OBDepict OH HN CH 3 H O N H 3 C CH 3 CH 3 CH 3 O HO H 3 C H 3 C CH 3 IC50 = 115.3 nM 472.67 CCn1c(C(=O)N[C@@H](C)CO)ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1 Homo sapiens CHEMBL4275701 single protein format
CHEMBL4097601 OBDepict OH HN O N CH 3 H 3 C CH 3 CH 3 OH CH 3 CH 3 IC50 = 123.43 nM 466.67 CCn1c(C(=O)NCCCO)ccc1C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1 Homo sapiens CHEMBL3999757 cell-based format
CHEMBL4290851 OBDepict H 3 C N CH 3 N H O N H 3 C H 3 C H 3 C CH 3 O S O O IC50 = 125.4 nM 567.8 CCN(CC)CCNC(=O)c1cc(C(CC)(CC)c2ccc(OCS(=O)(=O)c3ccccc3)c(C)c2)cn1CC Homo sapiens CHEMBL4275701 single protein format
CHEMBL1165293 OBDepict O HN NH 2 CH 3 H H CH 3 H H HO H OH IC50 = 185.0 nM 494.72 C[C@H](CCCCC(=O)Nc1ccccc1N)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C Homo sapiens CHEMBL1167400 single protein format
CHEMBL3747184 OBDepict NH 2 NH O N H 3 C CH 3 CH 3 CH 3 O HO H 3 C H 3 C CH 3 IC50 = 194.3 nM 457.66 CCn1c(C(=O)NCCN)ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1 Homo sapiens CHEMBL3749446 single protein format
CHEMBL1164243 OBDepict H HO H OH H H 3 C H CH 3 H N H S O O NH 2 IC50 = 196.0 nM 468.7 C[C@H](CCCCCNS(N)(=O)=O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C Homo sapiens CHEMBL1167400 single protein format
CHEMBL3746465 OBDepict CH 3 N H 3 C H 3 C CH 3 HN O O HO N H 3 C H 3 C CH 3 H 3 C CH 3 IC50 = 196.6 nM 499.74 CCn1c(C(=O)NCCCN(C)C)ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1 Homo sapiens CHEMBL3749446 single protein format
CHEMBL393978 OBDepict CH 2 H 3 C O H 3 C H H H 3 C H H 2 C H OH H HO IC50 = 198.0 nM 482.75 C=C1/C(=CC=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)COCC(=C)C2(C)CCCCC2)C[C@@H](O)C[C@@H]1O Homo sapiens CHEMBL900974 cell-based format
CHEMBL1164225 OBDepict H HO H OH H CH 3 H H 3 C H NH S O O H 3 C IC50 = 213.0 nM 439.66 C[C@H](CCCNS(C)(=O)=O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C Homo sapiens CHEMBL1167400 single protein format
CHEMBL4103687 OBDepict OH HN CH 3 O N H 3 C CH 3 CH 3 CH 3 O HO H 3 C H 3 C CH 3 IC50 = 228.0 nM 472.67 CCn1c(C(=O)NC(C)CO)ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1 Homo sapiens CHEMBL4038217 single protein format
CHEMBL1163778 OBDepict OH N H O H 3 C H H CH 3 H H HO H HO IC50 = 248.0 nM 419.61 C[C@H](CCCCC(=O)NO)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C Homo sapiens CHEMBL1167400 single protein format
CHEMBL4102275 OBDepict CH 3 N H 3 C NH O N CH 3 H 3 C CH 3 CH 3 O OH H 3 C H 3 C IC50 = 271.2 nM 527.79 CCN(CC)CCNC(=O)c1ccc(C(CC)(CC)c2ccc(OCCC(O)(CC)CC)c(C)c2)n1CC Homo sapiens CHEMBL4038217 single protein format
CHEMBL1164241 OBDepict H HO H OH H H 3 C H H 3 C H HN S O O H 2 N IC50 = 280.0 nM 454.68 C[C@H](CCCCNS(N)(=O)=O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C Homo sapiens CHEMBL1167400 single protein format
CHEMBL4075907 OBDepict H 3 C N CH 3 N H O N CH 3 H 3 C CH 3 CH 3 O OH H 3 C CH 3 IC50 = 295.8 nM 541.82 CCN(CC)CCCNC(=O)c1ccc(C(CC)(CC)c2ccc(OCCC(O)(CC)CC)c(C)c2)n1CC Homo sapiens CHEMBL4038217 single protein format
CHEMBL428384 OBDepict H 2 C O CH 3 H 3 C H 3 C H H H 3 C H H 2 C H OH H OH IC50 = 300.0 nM 494.76 C=C(COC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](O)C3=C)CCC[C@@]21C)C1=CCCCC1(C)C Homo sapiens CHEMBL900974 cell-based format
CHEMBL403670 OBDepict OH OH H O H 3 C H 3 C CH 3 CH 3 O HO H H 3 C H 3 C CH 3 Ki = 320.0 nM 458.64 CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 Homo sapiens CHEMBL1273734 single protein format
CHEMBL1164226 OBDepict H HO H OH H H 3 C H H 3 C H HN S O O H 3 C IC50 = 321.0 nM 453.69 C[C@H](CCCCNS(C)(=O)=O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C Homo sapiens CHEMBL1167400 single protein format
CHEMBL3747703 OBDepict H 3 C N HN O CH 3 CH 3 CH 3 O OH CH 3 CH 3 H 3 C H CH 3 H O OH H 3 C IC50 = 389.3 nM 528.73 CC[C@@H](C)[C@H](NC(=O)c1ccc(C(CC)(CC)c2ccc(OCC(O)C(C)(C)C)c(C)c2)n1CC)C(=O)O Homo sapiens CHEMBL3749446 single protein format
CHEMBL4101362 OBDepict H 3 C N HN O CH 3 CH 3 H 3 C O OH CH 3 CH 3 N O IC50 = 406.1 nM 555.8 CCn1c(C(=O)NCCCN2CCOCC2)ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1 Homo sapiens CHEMBL4038217 single protein format
CHEMBL4063053 OBDepict CH 2 H OH H HO H CH 3 H CH 3 H HO OH OH IC50 = 520.0 nM 572.79 C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(O)(c2ccc(O)cc2)c2ccc(O)cc2)C[C@H]1O Homo sapiens CHEMBL4020379 assay format
CHEMBL1165292 OBDepict O N H H 2 N CH 3 H H CH 3 H H OH H HO IC50 = 524.0 nM 480.69 C[C@H](CCCC(=O)Nc1ccccc1N)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C Homo sapiens CHEMBL1167400 single protein format
CHEMBL3747394 OBDepict H 3 C N HN O CH 3 CH 3 CH 3 O O CH 3 CH 3 H 3 C H CH 3 H O OH H 3 C IC50 = 563.6 nM 526.72 CC[C@@H](C)[C@H](NC(=O)c1ccc(C(CC)(CC)c2ccc(OCC(=O)C(C)(C)C)c(C)c2)n1CC)C(=O)O Homo sapiens CHEMBL3749446 single protein format
CHEMBL3109624 OBDepict Cl N H CH 3 N H H 3 C H 3 C IC50 = 590.0 nM 374.92 Cc1ccc(NC(c2ccccc2Cl)c2c(C)[nH]c3ccccc23)cc1C Homo sapiens CHEMBL3111314 cell-based format
CHEMBL3109604 OBDepict CH 3 O HN CH 3 N H F F F IC50 = 590.0 nM 410.44 COc1ccc(C(Nc2ccc(C(F)(F)F)cc2)c2c(C)[nH]c3ccccc23)cc1 Homo sapiens CHEMBL3111314 cell-based format
CHEMBL4209440 OBDepict H 3 C O O O O H 3 C N O CH 3 IC50 = 660.0 nM 367.4 COC(=O)Cc1ccc(OCc2oc(-c3cccc(OC)c3)nc2C)cc1 Homo sapiens CHEMBL4184921 cell-based format
CHEMBL272502 OBDepict OH OH H O H 3 C H 3 C CH 3 CH 3 O HO H H 3 C H 3 C CH 3 Ki = 740.0 nM 458.64 CCC(CC)(c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1)c1ccc(OC[C@H](O)CO)c(C)c1 Homo sapiens CHEMBL1273734 single protein format
CHEMBL4078012 OBDepict N NH O N H 3 C CH 3 CH 3 CH 3 O HO CH 3 H 3 C IC50 = 825.0 nM 467.65 CCn1c(C(=O)NCC#N)ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1 Homo sapiens CHEMBL4038217 single protein format
CHEMBL4632780 OBDepict H 3 C CH 3 O N O Cl Cl N N H 3 C H 3 C CH 3 O HO IC50 = 861.3 nM 592.52 CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2nc3ccc(C(=O)O)cc3n2CC(C)(C)C)cc1 Homo sapiens CHEMBL4624951 cell-based format
CHEMBL3747341 OBDepict CH 3 N H 3 C N H O N H 3 C CH 3 CH 3 CH 3 O O H 3 C H 3 C CH 3 IC50 = 863.0 nM 525.78 CCN(CC)CCCNC(=O)c1ccc(C(CC)(CC)c2ccc(OCC(=O)C(C)(C)C)c(C)c2)n1CC Homo sapiens CHEMBL3749446 single protein format