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Q16678 | CP1B1_HUMAN | Cytochrome P450 1B1 (CYP1B1)

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
CHEMBL3421639 OBDepict CH 3 O O O CH 3 O CH 3 O F IC50 = 0.043 nM 380.37 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(F)c3)oc12 Homo sapiens CHEMBL3423815 single protein format
CHEMBL4749123 OBDepict CH 3 O O O CH 3 O CH 3 O N F IC50 = 0.07 nM 381.36 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(F)cn3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4798651 OBDepict CH 3 O O O CH 3 O CH 3 O N Cl IC50 = 0.14 nM 397.81 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(Cl)cn3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL3422258 OBDepict CH 3 O O O CH 3 O CH 3 O F IC50 = 0.2 nM 380.37 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccc3F)oc12 Homo sapiens CHEMBL3423815 single protein format
CHEMBL3422257 OBDepict CH 3 O O O CH 3 O CH 3 O IC50 = 0.2 nM 362.38 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccc3)oc12 Homo sapiens CHEMBL3423815 single protein format
CHEMBL3422338 OBDepict CH 3 O O O CH 3 O CH 3 O Cl IC50 = 0.2 nM 396.83 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(Cl)cc3)oc12 Homo sapiens CHEMBL3423815 single protein format
CHEMBL3422337 OBDepict CH 3 O O O CH 3 O CH 3 O Cl IC50 = 0.3 nM 396.83 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL3423815 single protein format
CHEMBL4759410 OBDepict CH 3 O O O CH 3 O CH 3 O N Cl IC50 = 0.3 nM 397.81 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(Cl)n3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL3422349 OBDepict CH 3 O O O CH 3 O CH 3 O HO F IC50 = 0.3 nM 396.37 COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3cccc(F)c3)oc12 Homo sapiens CHEMBL3423815 single protein format
CHEMBL3422335 OBDepict CH 3 O O O CH 3 O CH 3 O F IC50 = 0.3 nM 380.37 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(F)cc3)oc12 Homo sapiens CHEMBL3423815 single protein format
CHEMBL4799247 OBDepict CH 3 O O O CH 3 O CH 3 O N F IC50 = 0.38 nM 381.36 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(F)n3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4748722 OBDepict H 3 C O O O H 3 C O CH 3 O N N N H IC50 = 0.4 nM 429.43 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(-c4c[nH]nn4)cc3)oc12 Homo sapiens CHEMBL4683857 cell-based format
CHEMBL4782753 OBDepict CH 3 O O O CH 3 O CH 3 O N Br IC50 = 0.46 nM 442.26 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccnc(Br)c3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL368236 OBDepict Cl O O IC50 = 0.49 nM 306.75 O=c1cc(-c2cccc(Cl)c2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL4064195 OBDepict O O F F F IC50 = 0.52 nM 340.3 O=c1cc(-c2cccc(C(F)(F)F)c2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL4755282 OBDepict CH 3 O O O CH 3 O CH 3 O N IC50 = 0.6 nM 363.37 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccn3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL3422350 OBDepict CH 3 O O O CH 3 O CH 3 O HO F IC50 = 0.8 nM 396.37 COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccc(F)cc3)oc12 Homo sapiens CHEMBL3423815 single protein format
CHEMBL4798694 OBDepict CH 3 O O O CH 3 O CH 3 O N Cl IC50 = 0.84 nM 397.81 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cc(Cl)ccn3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4747913 OBDepict CH 3 O O O CH 3 O CH 3 O O IC50 = 0.87 nM 402.4 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cc4ccccc4o3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4799346 OBDepict CH 3 O O O CH 3 O CH 3 O N F IC50 = 0.93 nM 381.36 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccnc(F)c3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4746733 OBDepict CH 3 O O O CH 3 O H 3 C O N H IC50 = 0.95 nM 401.42 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc4cc[nH]c4c3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4745341 OBDepict CH 3 O O O CH 3 O CH 3 O N H 2 N IC50 = 0.98 nM 378.38 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(N)nc3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4759778 OBDepict CH 3 O O O CH 3 O CH 3 O N F IC50 = 0.98 nM 381.36 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(F)c3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4781895 OBDepict CH 3 O O O CH 3 O CH 3 O N IC50 = 1.0 nM 363.37 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccnc3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4742050 OBDepict CH 3 O O O CH 3 O CH 3 O N IC50 = 1.0 nM 413.43 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc4ccccc4n3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL3422336 OBDepict CH 3 O O O CH 3 O CH 3 O Cl IC50 = 1.1 nM 396.83 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccc3Cl)oc12 Homo sapiens CHEMBL3423815 single protein format
CHEMBL4799305 OBDepict CH 3 O O O CH 3 O CH 3 O N Cl IC50 = 1.1 nM 397.81 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccnc(Cl)c3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL3422340 OBDepict CH 3 O O O O O CH 3 O CH 3 CH 3 IC50 = 1.1 nM 392.41 COc1ccc(-c2cc(=O)c3cc(OC)c4c(OC)ccc(OC)c4c3o2)cc1 Homo sapiens CHEMBL3423815 single protein format
CHEMBL4750829 OBDepict CH 3 O O O CH 3 O CH 3 O N Br IC50 = 1.1 nM 442.26 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(Br)c3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL3422348 OBDepict CH 3 O O O CH 3 O CH 3 O HO F IC50 = 1.2 nM 396.37 COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccccc3F)oc12 Homo sapiens CHEMBL3423815 single protein format
CHEMBL4750507 OBDepict CH 3 O O O CH 3 O CH 3 O N H 3 C IC50 = 1.2 nM 377.4 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(C)n3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4744690 OBDepict CH 3 O O O CH 3 O CH 3 O O IC50 = 1.2 nM 352.34 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccco3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4744264 OBDepict CH 3 O O O CH 3 O CH 3 O N IC50 = 1.2 nM 363.37 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccncc3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4753119 OBDepict CH 3 O O O CH 3 O CH 3 O N Br IC50 = 1.3 nM 442.26 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(Br)cn3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL283196 OBDepict O O IC50 = 1.3 nM 272.3 O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL3423815 single protein format
CHEMBL4791264 OBDepict CH 3 O O O CH 3 O CH 3 O N H 3 C IC50 = 1.3 nM 377.4 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cncc(C)c3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4474545 OBDepict Cl O S IC50 = 1.6 nM 322.82 S=c1cc(-c2ccc(Cl)cc2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL3422351 OBDepict CH 3 O O O CH 3 O CH 3 O HO Cl IC50 = 1.6 nM 412.83 COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccccc3Cl)oc12 Homo sapiens CHEMBL3423815 single protein format
CHEMBL3132932 OBDepict CH 3 O O H 3 C O O CH 3 H 3 C IC50 = 1.77 nM 300.35 COc1ccc(/C=C/c2c(OC)cccc2OC)c(OC)c1 Homo sapiens CHEMBL3137181 assay format
CHEMBL4753629 OBDepict CH 3 O O O CH 3 O CH 3 O N IC50 = 1.8 nM 413.43 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc4ncccc4c3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4514232 OBDepict _ N + N N O O IC50 = 1.8 nM 313.32 [N-]=[N+]=Nc1cccc(-c2cc(=O)c3ccc4ccccc4c3o2)c1 Homo sapiens CHEMBL4311585 single protein format
CHEMBL4759437 OBDepict H 3 C O O O H 3 C O CH 3 O N N H IC50 = 2.0 nM 402.41 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc4[nH]ncc4c3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4749988 OBDepict CH 3 O O O CH 3 O CH 3 O N N IC50 = 2.0 nM 364.36 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccnnc3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4532886 OBDepict O O N O IC50 = 2.0 nM 357.41 O=c1cc(-c2cccc(N3CCOCC3)c2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL279564 OBDepict IC50 = 2.0 nM 202.26 c1cc2ccc3cccc4ccc(c1)c2c34 Homo sapiens CHEMBL4035318 assay format
CHEMBL46909 OBDepict CH 3 O O H 3 C O O H 3 C H 3 C IC50 = 2.0 nM 300.35 COc1cc(/C=C/c2ccc(OC)cc2OC)cc(OC)c1 Homo sapiens CHEMBL3137179 assay format
CHEMBL4074105 OBDepict CH O N N H O IC50 = 2.0 nM 276.3 C#CCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 Homo sapiens CHEMBL4014736 cell membrane format
CHEMBL42428 OBDepict H 3 C O O H 3 C S IC50 = 2.0 nM 246.33 COc1cc(/C=C/c2cccs2)cc(OC)c1 Homo sapiens CHEMBL4330010 cell membrane format
CHEMBL4792004 OBDepict CH O O O O CH 3 O H 3 C H 3 C IC50 = 2.1 nM 386.4 C#Cc1ccc(-c2cc(=O)c3cc(OC)c4c(OC)ccc(OC)c4c3o2)cc1 Homo sapiens CHEMBL4683857 cell-based format
CHEMBL436080 OBDepict F O O IC50 = 2.2 nM 290.29 O=c1cc(-c2cccc(F)c2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL3422347 OBDepict CH 3 O O O CH 3 O CH 3 O HO IC50 = 2.3 nM 378.38 COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccccc3)oc12 Homo sapiens CHEMBL3423815 single protein format
CHEMBL3422341 OBDepict H 3 C O O H 3 C O O O O CH 3 O CH 3 CH 3 IC50 = 2.5 nM 422.43 COc1ccc(-c2cc(=O)c3cc(OC)c4c(OC)ccc(OC)c4c3o2)cc1OC Homo sapiens CHEMBL3423815 single protein format
CHEMBL4474660 OBDepict _ N + N N O O IC50 = 2.6 nM 313.32 [N-]=[N+]=Nc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1 Homo sapiens CHEMBL4311585 single protein format
CHEMBL4781932 OBDepict CH 3 O O O CH 3 O CH 3 O N S IC50 = 2.6 nM 369.4 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cscn3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL359819 OBDepict F O O IC50 = 2.7 nM 290.29 O=c1cc(-c2ccc(F)cc2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL46909 OBDepict CH 3 O O H 3 C O O H 3 C H 3 C Ki = 3.0 nM 300.35 COc1cc(/C=C/c2ccc(OC)cc2OC)cc(OC)c1 Homo sapiens CHEMBL4330584 single protein format
CHEMBL379064 OBDepict CH 3 O HO O HO O OH OH Ki = 3.0 nM 316.26 COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O Homo sapiens CHEMBL4035331 cell-based format
CHEMBL2058057 OBDepict Br N N H O IC50 = 3.0 nM 301.14 O=c1[nH]c(-c2ccc(Br)cc2)nc2ccccc12 Homo sapiens CHEMBL4014736 cell membrane format
CHEMBL4541619 OBDepict CH 3 O Cl O O IC50 = 3.2 nM 336.77 COc1cc(Cl)cc(-c2cc(=O)c3ccc4ccccc4c3o2)c1 Homo sapiens CHEMBL4380057 single protein format
CHEMBL4434863 OBDepict HO N O IC50 = 3.2 nM 287.32 O/N=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL361608 OBDepict F O O IC50 = 3.3 nM 290.29 O=c1cc(-c2ccccc2F)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL3422352 OBDepict CH 3 O O O CH 3 O CH 3 O HO Cl IC50 = 3.5 nM 412.83 COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL3423815 single protein format
CHEMBL4466261 OBDepict O O N IC50 = 3.5 nM 273.29 O=c1cc(-c2ccccn2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL4532099 OBDepict CH 3 O N O H CH 3 O Br IC50 = 3.6 nM 410.27 COc1cc2c(=O)cc(-c3cccc(Br)c3)[nH]c2c2c(OC)cccc12 Homo sapiens CHEMBL4330577 single protein format
CHEMBL3230194 OBDepict CH 3 O O O IC50 = 3.8 nM 302.33 COc1cccc(-c2cc(=O)c3ccc4ccccc4c3o2)c1 Homo sapiens CHEMBL4380057 single protein format
CHEMBL4539787 OBDepict CH 3 O N H O O CH 3 F IC50 = 3.9 nM 349.36 COc1cc2c(=O)cc(-c3ccc(F)cc3)[nH]c2c2c(OC)cccc12 Homo sapiens CHEMBL4330577 single protein format
CHEMBL4447260 OBDepict CH 3 O O N S N IC50 = 4.0 nM 326.42 COc1cc(/C=C/c2cccs2)cc(OCCn2ccnc2)c1 Homo sapiens CHEMBL4330010 cell membrane format
CHEMBL4100866 OBDepict Cl Cl O N N H O IC50 = 4.0 nM 383.23 O=c1[nH]c(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)nc2ccccc12 Homo sapiens CHEMBL4014736 cell membrane format
CHEMBL3132924 OBDepict CH 3 O O CH 3 O CH 3 IC50 = 4.0 nM 270.33 COc1ccccc1/C=C/c1ccc(OC)c(OC)c1 Homo sapiens CHEMBL3137184 single protein format
CHEMBL4753083 OBDepict CH 3 O O O CH 3 O CH 3 O N H IC50 = 4.1 nM 401.42 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3c[nH]c4ccccc34)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4558857 OBDepict H 3 C N CH 3 O O IC50 = 4.1 nM 315.37 CN(C)c1cccc(-c2cc(=O)c3ccc4ccccc4c3o2)c1 Homo sapiens CHEMBL4380057 single protein format
CHEMBL4456952 OBDepict CH 3 O N H O O O CH 3 CH 3 IC50 = 4.1 nM 361.4 COc1ccc(-c2cc(=O)c3cc(OC)c4cccc(OC)c4c3[nH]2)cc1 Homo sapiens CHEMBL4330577 single protein format
CHEMBL4545007 OBDepict Cl Cl O O IC50 = 4.2 nM 341.19 O=c1cc(-c2cc(Cl)cc(Cl)c2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL425868 OBDepict Cl O O IC50 = 4.2 nM 306.75 O=c1cc(-c2ccc(Cl)cc2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL556353 OBDepict H 3 C O N HN S BrH Ki = 4.38 nM 367.31 Br.Cc1ccc(C(=O)Cn2c3c(sc2=N)CCCC3)cc1 Homo sapiens CHEMBL4035361 assay format
CHEMBL4444783 OBDepict _ N + N N H H O O IC50 = 4.4 nM 319.36 [N-]=[N+]=N[C@H]1CC[C@@H](c2cc(=O)c3ccc4ccccc4c3o2)CC1 Homo sapiens CHEMBL4311585 single protein format
CHEMBL4563547 OBDepict NH 2 N N IC50 = 4.8 nM 297.36 Nc1nc(-c2ccccc2)cc(-c2ccc3ccccc3c2)n1 Homo sapiens CHEMBL4334805 assay format
CHEMBL4746097 OBDepict CH 3 O O O CH 3 O CH 3 O S IC50 = 4.8 nM 368.41 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccs3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4454231 OBDepict CH 3 O HO O O CH 3 O CH 3 IC50 = 4.9 nM 364.4 COc1ccc(OC)c2c(O)c(C(=O)/C=C/c3ccccc3)cc(OC)c12 Homo sapiens CHEMBL4334805 assay format
CHEMBL3422353 OBDepict CH 3 O O O CH 3 O CH 3 O HO Cl IC50 = 5.0 nM 412.83 COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccc(Cl)cc3)oc12 Homo sapiens CHEMBL3423815 single protein format
CHEMBL4556419 OBDepict F O S IC50 = 5.0 nM 306.36 Fc1cccc(-c2cc(=S)c3ccc4ccccc4c3o2)c1 Homo sapiens CHEMBL4380057 single protein format
CHEMBL4457289 OBDepict CH 3 O O O CH 3 H 3 C O O IC50 = 5.1 nM 362.38 COc1cc(-c2cc(=O)c3ccc4ccccc4c3o2)cc(OC)c1OC Homo sapiens CHEMBL4380057 single protein format
CHEMBL2347912 OBDepict O O OH O Ki = 5.6 nM 292.29 O=c1cc(-c2ccccc2)oc2c3c(cc(O)c12)OCC=C3 Homo sapiens CHEMBL3603197 assay format
CHEMBL4062213 OBDepict F F O O IC50 = 5.6 nM 308.28 O=c1cc(-c2ccc(F)c(F)c2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL4792471 OBDepict CH 3 O O O CH 3 O CH 3 O N H 2 N IC50 = 6.0 nM 378.38 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(N)cn3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL177938 OBDepict O O N IC50 = 6.2 nM 273.29 O=c1cc(-c2cccnc2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL4761904 OBDepict CH 3 O O O CH 3 O CH 3 O N H 2 N IC50 = 6.5 nM 378.38 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(N)n3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL243664 OBDepict CH 3 O O O OH HO Ki = 7.0 nM 284.27 COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 Homo sapiens CHEMBL4035332 single protein format
CHEMBL2420082 OBDepict CH 3 O O O IC50 = 7.3 nM 302.33 COc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1 Homo sapiens CHEMBL4380057 single protein format
CHEMBL4745897 OBDepict CH 3 O O O CH 3 O CH 3 O N HO IC50 = 7.7 nM 379.37 COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(O)n3)oc12 Homo sapiens CHEMBL4733548 single protein format
CHEMBL4461997 OBDepict S O IC50 = 7.8 nM 288.37 S=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL4466582 OBDepict OH N O Cl IC50 = 8.0 nM 321.76 O/N=c1cc(-c2ccc(Cl)cc2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL4092737 OBDepict CH 3 O O N IC50 = 9.0 nM 289.33 COc1ccc2cc(C(=O)/C=C/c3cccnc3)ccc2c1 Homo sapiens CHEMBL4009472 assay format
CHEMBL1346946 OBDepict IC50 = 9.0 nM 278.35 c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12 Homo sapiens CHEMBL4035325 assay format
CHEMBL3422339 OBDepict CH 3 O O O O O CH 3 O CH 3 CH 3 IC50 = 9.0 nM 392.41 COc1ccccc1-c1cc(=O)c2cc(OC)c3c(OC)ccc(OC)c3c2o1 Homo sapiens CHEMBL3423815 single protein format
CHEMBL4551672 OBDepict CH 3 O O S IC50 = 9.1 nM 318.4 COc1cccc(-c2cc(=S)c3ccc4ccccc4c3o2)c1 Homo sapiens CHEMBL4380057 single protein format
CHEMBL177991 OBDepict O O N IC50 = 9.3 nM 273.29 O=c1cc(-c2ccncc2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL4553927 OBDepict Cl O S IC50 = 9.4 nM 322.82 S=c1cc(-c2cccc(Cl)c2)oc2c1ccc1ccccc12 Homo sapiens CHEMBL4380057 single protein format
CHEMBL3422342 OBDepict CH 3 O O CH 3 O O H 3 C O O O CH 3 O H 3 C H 3 C IC50 = 9.8 nM 452.46 COc1cc(-c2cc(=O)c3cc(OC)c4c(OC)ccc(OC)c4c3o2)cc(OC)c1OC Homo sapiens CHEMBL3423815 single protein format
CHEMBL4059677 OBDepict O N IC50 = 10.0 nM 259.31 O=C(/C=C/c1ccc2ccccc2c1)c1cccnc1 Homo sapiens CHEMBL4009472 assay format