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P05093 | CP17A_HUMAN | "Steroid 17-alpha-hydroxylase/17,20 lyase" (CYP17A1)

3D structures mapped by conservation among orthologs

[ Domain: "Cytochrome P450" // p450 ]

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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
CHEMBL3913908 OBDepict CH 3 S N O O N O H O O N Cl N Cl IC50 = 0.73 nM 581.52 CCS(=O)(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 Homo sapiens CHEMBL3868072 cell-based format
CHEMBL4127656 OBDepict F N N N S O O H 3 C CH 3 IC50 = 1.0 nM 465.59 CC(C)S(=O)(=O)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4124009 cell-based format
CHEMBL4126996 OBDepict F N N N S O O IC50 = 1.0 nM 463.58 O=S(=O)(C1CC1)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4124009 cell-based format
CHEMBL3696099 OBDepict CH 3 N O N IC50 = 1.1 nM 286.33 Cc1ccncc1-c1cccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL3706048 cell-based format
CHEMBL2392006 OBDepict H OH H 3 C H H H H 3 C N N Ki = 1.2 nM 338.5 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1ccnc1 Homo sapiens CHEMBL3418490 single protein format
CHEMBL74661 OBDepict H OH H 3 C H 3 C N N Ki = 1.2 nM 338.5 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43C)C1CC=C2n1ccnc1 Homo sapiens CHEMBL662841 single protein format
CHEMBL3415119 OBDepict H OH H 3 C H H H H 3 C N N N Ki = 1.4 nM 339.48 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1ccnn1 Homo sapiens CHEMBL3418490 single protein format
CHEMBL78108 OBDepict H OH H 3 C H 3 C N N N Ki = 1.4 nM 339.48 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43C)C1CC=C2n1ccnn1 Homo sapiens CHEMBL662841 single protein format
CHEMBL3666697 OBDepict H 3 C N H S N O O O CH 3 F F F IC50 = 1.4 nM 360.36 Cc1cc(NS(C)(=O)=O)ccc1-c1cnccc1OCC(F)(F)F Homo sapiens CHEMBL3705521 cell-based format
CHEMBL310662 OBDepict HO CH 3 N IC50 = 1.8 nM 331.46 C[C@]12CCC3c4ccc(O)cc4CCC3C1CC=C2c1cccnc1 Homo sapiens CHEMBL662850 single protein format
CHEMBL110524 OBDepict H O CH 3 O N IC50 = 1.8 nM 285.39 C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 Homo sapiens CHEMBL661139 microsome format
CHEMBL3415124 OBDepict O CH 3 H H H CH 3 N N Ki = 1.9 nM 336.48 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2n1ccnc1 Homo sapiens CHEMBL3418490 single protein format
CHEMBL310336 OBDepict O H 3 C H 3 C N N Ki = 1.9 nM 336.48 C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C)C1CC=C2n1ccnc1 Homo sapiens CHEMBL662841 single protein format
CHEMBL3677969 OBDepict Cl N Cl N O N N IC50 = 1.9 nM 349.22 O=C1N(c2cc(Cl)nc(Cl)c2)CCN1c1cnccc1C1CC1 Homo sapiens CHEMBL3705980 cell-based format
CHEMBL4285546 OBDepict H 3 C S N O O N F N IC50 = 2.0 nM 453.58 CCS(=O)(=O)N1CCN(c2ccc(CCc3cc(F)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4257176 cell-based format
CHEMBL4128368 OBDepict F N N N S O O F F F IC50 = 2.0 nM 491.51 O=S(=O)(N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1)C(F)(F)F Homo sapiens CHEMBL4124009 cell-based format
CHEMBL3782020 OBDepict CH 3 N N N N IC50 = 2.0 nM 286.34 Cc1ccncc1-c1cccc2c1cnn2-c1ccccn1 Homo sapiens CHEMBL3783933 cell-based format
CHEMBL3666702 OBDepict CH 3 O NH S N O O H 3 C IC50 = 2.1 nM 318.4 COc1cc(NS(C)(=O)=O)ccc1-c1cnccc1C1CC1 Homo sapiens CHEMBL3705521 cell-based format
CHEMBL3666698 OBDepict H 3 C O HN S N H 3 C O O H 3 C IC50 = 2.5 nM 292.36 COc1cc(NS(C)(=O)=O)ccc1-c1cnccc1C Homo sapiens CHEMBL3705521 cell-based format
CHEMBL79829 OBDepict H OH H CH 3 CH 3 N IC50 = 2.5 nM 351.53 C[C@]12CCC3C(CC[C@H]4C[C@H](O)CC[C@]34C)C1CC=C2c1cccnc1 Homo sapiens CHEMBL662850 single protein format
CHEMBL3662060 OBDepict CH 3 O NH S N O O O CH 3 IC50 = 2.7 nM 420.49 COc1ccc(S(=O)(=O)Nc2ccc(-c3cncc4ccccc34)c(OC)c2)cc1 Homo sapiens CHEMBL3705521 cell-based format
CHEMBL3677940 OBDepict O N N N O CH 3 IC50 = 2.7 nM 333.39 Cc1coc2ccc(N3CCN(c4cnccc4C4CC4)C3=O)cc12 Homo sapiens CHEMBL3705980 cell-based format
CHEMBL112908 OBDepict O O H 3 C CH 3 N IC50 = 2.7 nM 299.41 CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 Homo sapiens CHEMBL661139 microsome format
CHEMBL3662058 OBDepict H 3 C O HN S N O O IC50 = 2.9 nM 390.46 COc1cc(NS(=O)(=O)c2ccccc2)ccc1-c1cncc2ccccc12 Homo sapiens CHEMBL3705521 cell-based format
CHEMBL311444 OBDepict O CH 3 O CH 3 N IC50 = 2.9 nM 361.49 C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@@]43C)C1CC=C2c1cccnc1 Homo sapiens CHEMBL662850 single protein format
CHEMBL84230 OBDepict O H H 3 C H 3 C N IC50 = 3.0 nM 349.52 C[C@]12CCC3C(CC[C@H]4CC(=O)CC[C@]34C)C1CC=C2c1cccnc1 Homo sapiens CHEMBL662850 single protein format
CHEMBL3780658 OBDepict CH 3 N N N N N IC50 = 3.0 nM 287.33 Cc1ccncc1-c1cccc2c1cnn2-c1cccnn1 Homo sapiens CHEMBL3783933 cell-based format
CHEMBL4289969 OBDepict F N N N S O O IC50 = 3.0 nM 465.59 O=S(=O)(C1CC1)N1CCN(c2ccc(CCc3cc(F)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4257176 cell-based format
CHEMBL432751 OBDepict O H 3 C H 3 C N IC50 = 3.0 nM 347.5 C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C)C1CC=C2c1cccnc1 Homo sapiens CHEMBL760886 single protein format
CHEMBL2111951 OBDepict H OH CH 3 H H CH 3 H H NH Ki = 3.0 nM 313.49 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)C1=CC[C@@H]2[C@H]1CN1 Homo sapiens CHEMBL661708 assay format
CHEMBL3696101 OBDepict F N O N CH 3 IC50 = 3.2 nM 304.32 Cc1ccncc1-c1cccc2c(-c3ccc(F)cc3)noc12 Homo sapiens CHEMBL3706048 cell-based format
CHEMBL3666703 OBDepict CH 3 S N H O O O F F F N IC50 = 3.2 nM 382.36 CS(=O)(=O)Nc1ccc(-c2cncc3ccccc23)c(OC(F)(F)F)c1 Homo sapiens CHEMBL3705521 cell-based format
CHEMBL3666692 OBDepict CH 3 O N H S N CH 3 N O O Cl IC50 = 3.4 nM 403.89 COc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)ccc1-c1cncnc1C Homo sapiens CHEMBL3705521 cell-based format
CHEMBL4284756 OBDepict CH 3 O O HN NH O N Cl N N IC50 = 3.5 nM 522.05 CCOC(=O)CNC(=O)NC1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 Homo sapiens CHEMBL4257176 cell-based format
CHEMBL3922888 OBDepict Cl Cl O O N H N O N N S O O IC50 = 3.7 nM 593.53 O=S(=O)(C1CC1)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 Homo sapiens CHEMBL3868072 cell-based format
CHEMBL3696108 OBDepict F N O N N CH 3 IC50 = 3.9 nM 305.31 Cc1ccncc1-c1ccnc2c(-c3ccc(F)cc3)noc12 Homo sapiens CHEMBL3706048 cell-based format
CHEMBL3696112 OBDepict F Cl S N N NH 2 N IC50 = 4.0 nM 356.81 Nc1ncncc1-c1ccnc2c(-c3ccc(F)cc3Cl)csc12 Homo sapiens CHEMBL3706048 cell-based format
CHEMBL4291002 OBDepict CH 3 O O HN N O N Cl N N IC50 = 4.0 nM 508.02 CCOC(=O)CNC(=O)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 Homo sapiens CHEMBL4257176 cell-based format
CHEMBL3696111 OBDepict F S N N N IC50 = 4.0 nM 347.42 Fc1ccc(-c2csc3c(-c4cncnc4C4CC4)ccnc23)cc1 Homo sapiens CHEMBL3706048 cell-based format
CHEMBL3780743 OBDepict CH 3 N N N IC50 = 4.0 nM 285.35 Cc1ccncc1-c1cccc2c1cnn2-c1ccccc1 Homo sapiens CHEMBL3783933 cell-based format
CHEMBL4289268 OBDepict F N N N S O O H 3 C CH 3 IC50 = 4.0 nM 467.61 CC(C)S(=O)(=O)N1CCN(c2ccc(CCc3cc(F)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4257176 cell-based format
CHEMBL254328 OBDepict H OH H 3 C H H H H 3 C N IC50 = 4.0 nM 349.52 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 Homo sapiens CHEMBL760886 single protein format
CHEMBL3780266 OBDepict H 3 C N N N N S IC50 = 4.0 nM 292.37 Cc1ccncc1-c1cccc2c1cnn2-c1nccs1 Homo sapiens CHEMBL3783933 cell-based format
CHEMBL4129721 OBDepict F N N N O CH 3 IC50 = 4.6 nM 401.49 CC(=O)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4124009 cell-based format
CHEMBL3677971 OBDepict O N N N N F F F IC50 = 4.75 nM 388.39 O=C1N(c2cc(C3CC3)nc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1 Homo sapiens CHEMBL3705980 cell-based format
CHEMBL4127131 OBDepict F N N N N S O O F F IC50 = 5.0 nM 476.52 O=S(=O)(C(F)F)N1CCN(c2ccc(/C=C/c3cc(F)cc(Cn4ccnc4)c3)cc2)CC1 Homo sapiens CHEMBL4124009 cell-based format
CHEMBL4127399 OBDepict Cl N N N O CH 3 IC50 = 5.0 nM 417.94 CC(=O)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4124009 cell-based format
CHEMBL4126014 OBDepict Cl N N N S O O CH 3 IC50 = 5.0 nM 454.0 CS(=O)(=O)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4124009 cell-based format
CHEMBL4127256 OBDepict Cl N N N S O O H 3 C CH 3 IC50 = 5.0 nM 482.05 CC(C)S(=O)(=O)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4124009 cell-based format
CHEMBL4128640 OBDepict Cl N N N S O O IC50 = 5.0 nM 480.03 O=S(=O)(C1CC1)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4124009 cell-based format
CHEMBL4126429 OBDepict F N N N S O O CH 3 IC50 = 5.0 nM 437.54 CS(=O)(=O)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4124009 cell-based format
CHEMBL4126284 OBDepict H 3 C S N O O N F N IC50 = 5.0 nM 451.57 CCS(=O)(=O)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4124009 cell-based format
CHEMBL3137967 OBDepict H OH H H 3 C H H H H 3 C N IC50 = 5.0 nM 353.55 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2c1cccnc1 Homo sapiens CHEMBL760886 single protein format
CHEMBL3677960 OBDepict Cl N N F F F O N N IC50 = 5.0 nM 382.77 O=C1N(c2cc(Cl)nc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1 Homo sapiens CHEMBL3705980 cell-based format
CHEMBL4126956 OBDepict F N N N S O O F F IC50 = 5.0 nM 473.52 O=S(=O)(C(F)F)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4124009 cell-based format
CHEMBL4126816 OBDepict Cl N N N O N IC50 = 5.0 nM 444.97 Clc1cc(/C=C/c2ccc(N3CCN(C4=NCCO4)CC3)cc2)cc(-c2ccncc2)c1 Homo sapiens CHEMBL4124009 cell-based format
CHEMBL4129428 OBDepict F N N N O N IC50 = 5.0 nM 428.51 Fc1cc(/C=C/c2ccc(N3CCN(C4=NCCO4)CC3)cc2)cc(-c2ccncc2)c1 Homo sapiens CHEMBL4124009 cell-based format
CHEMBL4286910 OBDepict F N N N IC50 = 5.0 nM 413.54 Fc1cc(/C=C/c2ccc(N3CCN(CC4CC4)CC3)cc2)cc(-c2ccncc2)c1 Homo sapiens CHEMBL4257176 cell-based format
CHEMBL4129859 OBDepict Cl N N N S O O F F IC50 = 5.0 nM 489.98 O=S(=O)(C(F)F)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4124009 cell-based format
CHEMBL3781112 OBDepict F N N N CH 3 IC50 = 5.0 nM 303.34 Cc1ccncc1-c1cccc2c1cnn2-c1ccc(F)cc1 Homo sapiens CHEMBL3783933 cell-based format
CHEMBL3780048 OBDepict H 3 C N N N N S IC50 = 5.0 nM 292.37 Cc1ccncc1-c1cccc2c1cnn2-c1cscn1 Homo sapiens CHEMBL3783933 cell-based format
CHEMBL3780226 OBDepict CH 3 N N N N N IC50 = 5.0 nM 287.33 Cc1ccncc1-c1cccc2c1cnn2-c1cnccn1 Homo sapiens CHEMBL3783933 cell-based format
CHEMBL3677970 OBDepict Cl N N O N N IC50 = 5.2 nM 354.84 O=C1N(c2cc(Cl)nc(C3CC3)c2)CCN1c1cnccc1C1CC1 Homo sapiens CHEMBL3705980 cell-based format
CHEMBL3662070 OBDepict H 3 C O HN S N H 3 C N O O IC50 = 5.4 nM 355.42 COc1cc(NS(=O)(=O)c2ccccc2)ccc1-c1cncnc1C Homo sapiens CHEMBL3705521 cell-based format
CHEMBL1921975 OBDepict H 3 C NH O HO N CH 3 H 3 C N H IC50 = 5.5 nM 323.4 CNC(=O)c1ccc2cc([C@](O)(c3c[nH]cn3)C(C)C)ccc2c1 Homo sapiens CHEMBL1926380 single protein format
CHEMBL2147034 OBDepict CH 3 N N N N IC50 = 5.8 nM 286.34 Cc1ccncc1-c1cccc2c1ncn2-c1ccccn1 Homo sapiens CHEMBL2150657 cell-based format
CHEMBL3677927 OBDepict O N N N F F F IC50 = 6.0 nM 347.34 O=C1N(c2cccc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1 Homo sapiens CHEMBL3705980 cell-based format
CHEMBL3677951 OBDepict Cl N N O N H H N IC50 = 6.0 nM 326.79 O=C1N(c2ccnc(Cl)c2)[C@H]2C[C@H]2N1c1cnccc1C1CC1 Homo sapiens CHEMBL3705980 cell-based format
CHEMBL3677972 OBDepict O N N N N F F F F F F IC50 = 6.0 nM 416.33 O=C1N(c2cc(C(F)(F)F)nc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1 Homo sapiens CHEMBL3705980 cell-based format
CHEMBL3662065 OBDepict H 3 C O HN S N O O N IC50 = 6.0 nM 391.45 COc1cc(NS(=O)(=O)c2ccccn2)ccc1-c1cncc2ccccc12 Homo sapiens CHEMBL3705521 cell-based format
CHEMBL4128495 OBDepict N S N O O N Cl N IC50 = 6.0 nM 479.01 N#CCS(=O)(=O)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4124009 cell-based format
CHEMBL3677947 OBDepict O N N N F S IC50 = 6.0 nM 353.42 O=C1N(c2cc(F)c3ccsc3c2)CCN1c1cnccc1C1CC1 Homo sapiens CHEMBL3705980 cell-based format
CHEMBL341591 OBDepict OH H 3 C H 3 C NH Ki = 6.0 nM 329.53 CC12CCC(O)CC1=CCC1C2CCC2(C)C(CC3CN3)CCC12 Homo sapiens CHEMBL661707 assay format
CHEMBL4127240 OBDepict Cl N N N N S O O N N H IC50 = 6.2 nM 509.04 O=S(=O)(c1c[nH]cn1)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 Homo sapiens CHEMBL4124009 cell-based format
CHEMBL3662064 OBDepict CH 3 O NH S N O O IC50 = 6.2 nM 354.43 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cncc2ccccc12 Homo sapiens CHEMBL3705521 cell-based format
CHEMBL3662057 OBDepict CH 3 O N H S N O O CH 3 IC50 = 6.6 nM 328.39 COc1cc(NS(C)(=O)=O)ccc1-c1cncc2ccccc12 Homo sapiens CHEMBL3705521 cell-based format
CHEMBL3677936 OBDepict O N N N S CH 3 IC50 = 6.7 nM 349.46 Cc1csc2ccc(N3CCN(c4cnccc4C4CC4)C3=O)cc12 Homo sapiens CHEMBL3705980 cell-based format
CHEMBL3677955 OBDepict O N N H H N N F F F IC50 = 6.9 nM 360.34 O=C1N(c2ccnc(C(F)(F)F)c2)[C@H]2C[C@H]2N1c1cnccc1C1CC1 Homo sapiens CHEMBL3705980 cell-based format
CHEMBL3677943 OBDepict F S N O N N IC50 = 7.0 nM 353.42 O=C1N(c2cc3cc(F)ccc3s2)CCN1c1cnccc1C1CC1 Homo sapiens CHEMBL3705980 cell-based format
CHEMBL4288168 OBDepict F N N N S O O N IC50 = 7.0 nM 500.6 O=S(=O)(c1cccnc1)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4257176 cell-based format
CHEMBL3415124 OBDepict O CH 3 H H H CH 3 N N IC50 = 7.0 nM 336.48 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2n1ccnc1 Homo sapiens CHEMBL3418490 single protein format
CHEMBL3677937 OBDepict O N N N S IC50 = 7.0 nM 335.43 O=C1N(c2ccc3ccsc3c2)CCN1c1cnccc1C1CC1 Homo sapiens CHEMBL3705980 cell-based format
CHEMBL310336 OBDepict O H 3 C H 3 C N N IC50 = 7.0 nM 336.48 C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C)C1CC=C2n1ccnc1 Homo sapiens CHEMBL661722 assay format
CHEMBL4288241 OBDepict CH 3 O O NH N O N F N IC50 = 7.0 nM 490.58 CCOC(=O)CNC(=O)N1CCN(c2ccc(CCc3cc(F)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4257176 cell-based format
CHEMBL4213452 OBDepict H OH H CH 3 H HO H H H CH 3 N IC50 = 7.2 nM 367.53 C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 Homo sapiens CHEMBL4190136 assay format
CHEMBL3666695 OBDepict CH 3 N O NH S F F F O O IC50 = 7.7 nM 386.4 Cc1ccncc1-c1ccc(NS(=O)(=O)C2CC2)cc1OCC(F)(F)F Homo sapiens CHEMBL3705521 cell-based format
CHEMBL4210737 OBDepict H OH CH 3 H H H H CH 3 N IC50 = 7.83 nM 363.55 C[C@]12CC[C@H]3[C@@H](C[C@@H]4C[C@@]45C[C@@H](O)CC[C@]35C)[C@@H]1CC=C2c1cccnc1 Homo sapiens CHEMBL4190136 assay format
CHEMBL78003 OBDepict O H 3 C H 3 C N N N Ki = 8.0 nM 337.47 C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C)C1CC=C2n1ccnn1 Homo sapiens CHEMBL662840 single protein format
CHEMBL74661 OBDepict H OH H 3 C H 3 C N N IC50 = 8.0 nM 338.5 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43C)C1CC=C2n1ccnc1 Homo sapiens CHEMBL661722 assay format
CHEMBL4283402 OBDepict CH 3 O O NH N O N F N IC50 = 8.0 nM 488.56 CCOC(=O)CNC(=O)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1 Homo sapiens CHEMBL4257176 cell-based format
CHEMBL3696110 OBDepict F S N N CH 3 N IC50 = 8.0 nM 321.38 Cc1ncncc1-c1ccnc2c(-c3ccc(F)cc3)csc12 Homo sapiens CHEMBL3706048 cell-based format
CHEMBL3781910 OBDepict H 3 C N N N N S IC50 = 8.0 nM 292.37 Cc1ccncc1-c1cccc2c1ncn2-c1cscn1 Homo sapiens CHEMBL3783933 cell-based format
CHEMBL3781487 OBDepict H 3 C N N N N S IC50 = 8.0 nM 292.37 Cc1ccncc1-c1cccc2c1ncn2-c1nccs1 Homo sapiens CHEMBL3783933 cell-based format
CHEMBL3639767 OBDepict Cl N N O N N IC50 = 8.0 nM 314.78 O=C1N(c2ccnc(Cl)c2)CCN1c1cnccc1C1CC1 Homo sapiens CHEMBL3705980 cell-based format
CHEMBL4289930 OBDepict Cl Cl O O N H O N N N O CH 3 IC50 = 8.0 nM 545.47 CC(=O)N1CCN(c2ccc(CO[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)OC3)cc2)CC1 Homo sapiens CHEMBL4257190 cell-based format
CHEMBL3415125 OBDepict O CH 3 H H H CH 3 N N N Ki = 8.0 nM 337.47 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2n1ccnn1 Homo sapiens CHEMBL3418490 single protein format
CHEMBL2111947 OBDepict H OH CH 3 H H H CH 3 H H NH Ki = 8.0 nM 315.5 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H]1CN1 Homo sapiens CHEMBL661707 assay format
CHEMBL3662062 OBDepict H 3 C O N H S N O O CH 3 IC50 = 8.1 nM 342.42 CCS(=O)(=O)Nc1ccc(-c2cncc3ccccc23)c(OC)c1 Homo sapiens CHEMBL3705521 cell-based format
CHEMBL3965336 OBDepict H 3 C N N N N S IC50 = 9.0 nM 292.37 Cc1ccncc1-c1ccnn2c(-c3cccs3)cnc12 Homo sapiens CHEMBL3887319 cell-based format
CHEMBL4291856 OBDepict CH 3 S N O O N O H O O N Cl N Cl IC50 = 9.0 nM 595.55 CCS(=O)(=O)N1CCN(c2ccc(CO[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)OC3)cc2)CC1 Homo sapiens CHEMBL4257190 cell-based format