CYP1B1

Reference Set (164 Compounds)

COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(F)c3)oc12 ZINC000299861595

ZINC000299861595 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccc3)oc12 ZINC000299864691

ZINC000299864691 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccc3F)oc12 ZINC000299866256

ZINC000299866256 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(Cl)cc3)oc12 ZINC000299866937

ZINC000299866937 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(F)cc3)oc12 ZINC000299856661

ZINC000299856661 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3cccc(F)c3)oc12 ZINC000299865205

ZINC000299865205 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(Cl)c3)oc12 ZINC000299867166

ZINC000299867166 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccc(F)cc3)oc12 ZINC000299865245

ZINC000299865245 (search)

COc1ccc(-c2cc(=O)c3cc(OC)c4c(OC)ccc(OC)c4c3o2)cc1 ZINC000299861195

ZINC000299861195 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccc3Cl)oc12 ZINC000299863655

ZINC000299863655 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccccc3F)oc12 ZINC000299866689

ZINC000299866689 (search)

O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 ZINC000000038933

ZINC000000038933 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccccc3Cl)oc12 ZINC000299857972

ZINC000299857972 (search)

COc1ccc(/C=C/c2c(OC)cccc2OC)c(OC)c1 ZINC000103297544

ZINC000103297544 (search)

c1cc2ccc3cccc4ccc(c1)c2c34 ZINC000001758808

ZINC000001758808 (search)

C#CCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000675047249

ZINC000675047249 (search)

COc1cc(/C=C/c2ccc(OC)cc2OC)cc(OC)c1 ZINC000003875137

ZINC000003875137 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccccc3)oc12 ZINC000299859446

ZINC000299859446 (search)

COc1ccc(-c2cc(=O)c3cc(OC)c4c(OC)ccc(OC)c4c3o2)cc1OC ZINC000299867246

ZINC000299867246 (search)

O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12 ZINC000000120273

ZINC000000120273 (search)

O=c1[nH]c(-c2ccc(Br)cc2)nc2ccccc12 ZINC000000289772

ZINC000000289772 (search)

COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O ZINC000000517261

ZINC000000517261 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3cccc(Cl)c3)oc12 ZINC000299864469

ZINC000299864469 (search)

COc1ccc2cc(C(=O)/C=C/c3cccnc3)ccc2c1 ZINC000007586945

ZINC000007586945 (search)

O=C(/C=C/c1ccc2ccccc2c1)c1cccnc1 ZINC000007739644

ZINC000007739644 (search)

O=c1[nH]c(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)nc2ccccc12 ZINC001772575763

ZINC001772575763 (search)

COc1ccccc1/C=C/c1ccc(OC)c(OC)c1 ZINC000103297524

ZINC000103297524 (search)

Cc1ccc(C(=O)Cn2c3c(sc2=N)CCCC3)cc1 ZINC000003874684

ZINC000003874684 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccc(Cl)cc3)oc12 ZINC000299855051

ZINC000299855051 (search)

O=c1cc(-c2ccccc2)oc2c3c(cc(O)c12)OCC=C3 ZINC000095601030

ZINC000095601030 (search)

COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 ZINC000003871358

ZINC000003871358 (search)

c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12 ZINC000001590020

ZINC000001590020 (search)

COc1ccccc1-c1cc(=O)c2cc(OC)c3c(OC)ccc(OC)c3c2o1 ZINC000299867769

ZINC000299867769 (search)

COc1cc(-c2cc(=O)c3cc(OC)c4c(OC)ccc(OC)c4c3o2)cc(OC)c1OC ZINC000299855586

ZINC000299855586 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)c(OCCOCCOCCOCCOC(=O)CN)c(-c3cccc(F)c3)oc12 ZINC000299853732

ZINC000299853732 (search)

COc1ccccc1/C=C/C(=O)c1cccnc1 ZINC000005671171

ZINC000005671171 (search)

O=C(/C=C/c1cccnc1)c1ccc2ccccc2c1 ZINC000007586904

ZINC000007586904 (search)

COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O ZINC000005733652

ZINC000005733652 (search)

COc1ccc(/C=C/C(=O)c2cccnc2)cc1OC ZINC000004949678

ZINC000004949678 (search)

COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OC ZINC000006018693

ZINC000006018693 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)c(OCCOC(=O)CN)c(-c3cccc(F)c3)oc12 ZINC000299851241

ZINC000299851241 (search)

COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O ZINC000000519621

ZINC000000519621 (search)

COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O ZINC000006484604

ZINC000006484604 (search)

COc1ccc(/C=C/C(=O)c2ccncc2)c(OC)c1OC ZINC000103216047

ZINC000103216047 (search)

O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 ZINC000003869685

ZINC000003869685 (search)

O=C(/C=C/c1cccnc1)c1cccc2ccccc12 ZINC000007586865

ZINC000007586865 (search)

O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 ZINC000003871576

ZINC000003871576 (search)

COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1 ZINC000006411540

ZINC000006411540 (search)

O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12 ZINC000003874317

ZINC000003874317 (search)

O=C(/C=C/c1ccc2c(c1)OCO2)c1cccnc1 ZINC000004024873

ZINC000004024873 (search)

COc1cccc(/C=C/c2ccc(SC)cc2)c1 ZINC000084688409

ZINC000084688409 (search)

C#Cc1cc2ccc3cccc4ccc(c1)c2c34 ZINC000116460784

ZINC000116460784 (search)

COc1ccc(/C=C/C(=O)c2cccnc2)c(OC)c1OC ZINC000016406294

ZINC000016406294 (search)

COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1O ZINC000048603449

ZINC000048603449 (search)

COc1cc(/C=C/C(=O)c2ccncc2)cc(OC)c1 ZINC000090525444

ZINC000090525444 (search)

COc1cccc(/C=C/C(=O)c2cccnc2)c1 ZINC000005671056

ZINC000005671056 (search)

COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1O ZINC000000001412

ZINC000000001412 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)c(OCCOCCOC(=O)CN)c(-c3cccc(F)c3)oc12 ZINC000299854505

ZINC000299854505 (search)

COc1ccccc1/C=C/c1ccc(SC)cc1 ZINC000084688408

ZINC000084688408 (search)

COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 ZINC000003779067

ZINC000003779067 (search)

COc1ccccc1/C=C/C(=O)c1ccncc1 ZINC000005211059

ZINC000005211059 (search)

O=C(/C=C/c1cccnc1)c1ccc2ccc3ccccc3c2c1 ZINC001772623558

ZINC001772623558 (search)

O=c1cc(-c2ccccc2)oc2c3c(ccc12)OCC=C3 ZINC000095602894

ZINC000095602894 (search)

COc1cccc(/C=C/C(=O)c2ccncc2)c1 ZINC000004021915

ZINC000004021915 (search)

COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1O ZINC000150153880

ZINC000150153880 (search)

O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12 ZINC000000898237

ZINC000000898237 (search)

O=c1c2ccccc2nc2c3[nH]c4ccccc4c3ccn12 ZINC000006117987

ZINC000006117987 (search)

O=C(/C=C/c1cccnc1)c1cccc(Cl)c1 ZINC000007586955

ZINC000007586955 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccc3O)oc12 ZINC000299858802

ZINC000299858802 (search)

O=C(/C=C/c1cccnc1)c1cccc(Br)c1 ZINC000007586860

ZINC000007586860 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)c(OCCOCCOCCOC(=O)CN)c(-c3cccc(F)c3)oc12 ZINC000299853146

ZINC000299853146 (search)

O=C(/C=C/c1ccccc1)c1cccnc1 ZINC000012416478

ZINC000012416478 (search)

COc1ccc(/C=C/c2cc(OC)c(OC)cc2OC)c(OC)c1 ZINC000001544779

ZINC000001544779 (search)

O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 ZINC000018185774

ZINC000018185774 (search)

COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2ccccc2c1=O ZINC000000784580

ZINC000000784580 (search)

O=c1c(O)c(-c2ccccc2)oc2ccccc12 ZINC000000057675

ZINC000000057675 (search)

O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccc(O)cc12 ZINC001772607488

ZINC001772607488 (search)

COc1ccc(C(=O)/C=C/c2cccnc2)c(OC)c1 ZINC000004991857

ZINC000004991857 (search)

O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1cccnc1 ZINC000005128272

ZINC000005128272 (search)

COc1cccc(/C=C/c2ccc(OC)cc2OC)c1 ZINC000169330249

ZINC000169330249 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)c(OCCOC(=O)[C@H](C)N)c(-c3cccc(F)c3)oc12 ZINC000299853086

ZINC000299853086 (search)

Cc1cc2c(cc(O)c3c(=O)cc(-c4ccccc4)oc32)o1 ZINC000474602223

ZINC000474602223 (search)

COc1cc(OC)cc(C(=O)/C=C/c2cccnc2)c1 ZINC001772623964

ZINC001772623964 (search)

COc1ccc2c3c([nH]c2c1)-c1nc2ccccc2c(=O)n1CC3 ZINC000001637609

ZINC000001637609 (search)

COc1ccc(/C=C/C(=O)c2cccnc2)cc1O ZINC000006338811

ZINC000006338811 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)c(OCCOC(=O)[C@@H](N)C(C)C)c(-c3cccc(F)c3)oc12 ZINC000299854454

ZINC000299854454 (search)

O=C(/C=C/c1ccc(F)c(F)c1)c1cccnc1 ZINC000007739445

ZINC000007739445 (search)

O=c1[nH]c(-c2ccc(OCc3ccc(F)cc3F)cc2)nc2ccccc12 ZINC001772650868

ZINC001772650868 (search)

O=c1cc(-c2ccccc2)oc2c1ccc1ncccc12 ZINC000474609986

ZINC000474609986 (search)

COc1cccc(C(=O)/C=C/c2cccnc2)c1 ZINC000007586942

ZINC000007586942 (search)

O=C(/C=C/c1cccnc1)c1cc2ccccc2c2ccccc12 ZINC001772602523

ZINC001772602523 (search)

COc1ccc(C(=O)/C=C/c2cccnc2)c(OC)c1OC ZINC000040849124

ZINC000040849124 (search)

$C/C(=C\C(=O)c1cc(O)c(Br)cc1O)CCCC(C)(C)O ZINC000013430774$

ZINC000013430774 (search)

CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2 ZINC000001530833

ZINC000001530833 (search)

COc1ccc(/C=C/c2c(OC)cc(OC)cc2OC)c(OC)c1 ZINC000169330263

ZINC000169330263 (search)

O=C(/C=C/c1cccnc1)c1ccc2ccc3cccc4ccc1c2c34 ZINC001772579702

ZINC001772579702 (search)

COc1ccc(/C=C/C(=O)c2ccncc2)cc1OC ZINC000083202068

ZINC000083202068 (search)

COc1ccc(C(=O)/C=C/c2cccnc2)cc1OC ZINC000005550237

ZINC000005550237 (search)

Cc1cc2c(ccc3c(=O)cc(-c4ccccc4)oc32)o1 ZINC000196301082

ZINC000196301082 (search)

O=C(/C=C/c1ccncc1)c1ccc2ccccc2c1 ZINC000034513795

ZINC000034513795 (search)

O=C(/C=C/c1cccnc1)c1ccc(-c2ccccc2)cc1 ZINC000007586903

ZINC000007586903 (search)

COc1ccc(/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000103297527

ZINC000103297527 (search)

COc1ccc(/C=C/c2cccc(OC)c2OC)c(OC)c1 ZINC000169330261

ZINC000169330261 (search)

O=C(/C=C/c1ccccc1Cl)c1ccc[nH]1 ZINC000004185327

ZINC000004185327 (search)

O=c1cc(-c2ccccc2)oc2cccc(O)c12 ZINC000000057676

ZINC000000057676 (search)

COc1ccc(/C=C/c2ccc(OC)cc2OC)c(OC)c1 ZINC000169330258

ZINC000169330258 (search)

C[C@]12CC[C@@H]3c4cc(-c5ccc(F)cc5)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000139841514

ZINC000139841514 (search)

COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O ZINC000004098322

ZINC000004098322 (search)

O=c1cc(-c2ccccc2)oc2cc(O)ccc12 ZINC000005934541

ZINC000005934541 (search)

COc1ccc(/C=C/c2ccccc2)cc1OC ZINC000026577689

ZINC000026577689 (search)

COc1cc(OC)c(/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000103297542

ZINC000103297542 (search)

COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000139673046

ZINC000139673046 (search)

COc1ccc(/C=C/c2c(OC)cccc2OC)cc1OC ZINC000103297532

ZINC000103297532 (search)

COc1ccc(/C=C/c2ccccc2OC)c(OC)c1 ZINC000084711912

ZINC000084711912 (search)

COc1cc(/C=C/C(=O)c2cccnc2)cc(OC)c1OC ZINC000004811725

ZINC000004811725 (search)

COc1ccc(OC)c(/C=C/c2ccc(OC)cc2OC)c1 ZINC000169330253

ZINC000169330253 (search)

COc1ccc(/C=C/c2cccc(OC)c2OC)cc1OC ZINC000038286439

ZINC000038286439 (search)

COc1ccc(/C=C/c2c(OC)ccc(OC)c2OC)c(OC)c1 ZINC000169330264

ZINC000169330264 (search)

O=C(/C=C/c1cccc(O)c1)c1cccnc1 ZINC000005864856

ZINC000005864856 (search)

O=c1cc(-c2ccccc2)oc2c3c(ccc12)OCO3 ZINC000474605270

ZINC000474605270 (search)

COc1ccc(/C=C/c2ccccc2)c(OC)c1 ZINC000034433831

ZINC000034433831 (search)

O=C1c2ccccc2C(=O)c2c1ccc(O)c2O ZINC000003860973

ZINC000003860973 (search)

COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O ZINC000000039092

ZINC000000039092 (search)

COc1ccc(C(=O)/C=C/c2cccnc2)cc1 ZINC000003998732

ZINC000003998732 (search)

CCOc1c(OC)cc(/C=C/C(=O)c2ccncc2)cc1OC ZINC000182239942

ZINC000182239942 (search)

COc1ccc(OC)c(/C=C/c2ccc(OC)c(OC)c2)c1 ZINC000103297529

ZINC000103297529 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(O)cc3)oc12 ZINC000299855898

ZINC000299855898 (search)

O=C(/C=C/c1cccc2ccccc12)c1ccncc1 ZINC000004977136

ZINC000004977136 (search)

COc1ccc(/C=C/c2ccc(OC)cc2OC)cc1 ZINC000028712370

ZINC000028712370 (search)

O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21 ZINC000003861633

ZINC000003861633 (search)

COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(OCc4ccccc4)cc3)oc12 ZINC000299859910

ZINC000299859910 (search)

Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 ZINC000000006787

ZINC000000006787 (search)

COc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 ZINC000003978779

ZINC000003978779 (search)

COc1cc(O)cc(/C=C/c2ccc(O)cc2)c1 ZINC000006483567

ZINC000006483567 (search)

COc1ccccc1/C=C/C(=O)c1ccc[nH]1 ZINC001772608978

ZINC001772608978 (search)

COc1cc(/C=C/c2ccc(O)cc2)cc(OC)c1 ZINC000000899213

ZINC000000899213 (search)

CC(C)=CCOc1c2occc2cc2ccc(=O)oc12 ZINC000000001904

ZINC000000001904 (search)

COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1 ZINC000002146973

ZINC000002146973 (search)

O=C(/C=C/c1cccc(Cl)c1)c1ccc[nH]1 ZINC000653771354

ZINC000653771354 (search)

O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21 ZINC000000073693

ZINC000000073693 (search)

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000013520815

ZINC000013520815 (search)

COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1 ZINC000018847037

ZINC000018847037 (search)

C=C(C)[C@@H]1CC=C(CO)CC1 ZINC000003861538

ZINC000003861538 (search)

O=[N+]([O-])c1ccc(/N=N/N2CCOCC2)cc1 ZINC000018060634

ZINC000018060634 (search)

O=C(/C=C/c1ccc2c(c1)OCO2)c1ccncc1 ZINC000016310385

ZINC000016310385 (search)

CC#Cc1ccc(-c2ccccc2)cc1 ZINC000071340692

ZINC000071340692 (search)

O=C(/C=C/c1ccccc1F)c1ccc[nH]1 ZINC001772622662

ZINC001772622662 (search)

C[C@]12CC[C@@H]3c4ccc(S)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000144014945

ZINC000144014945 (search)

COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 ZINC000018847036

ZINC000018847036 (search)

COc1c(O)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2 ZINC000013376481

ZINC000013376481 (search)

COc1ccc(/C=C/c2ccc(OC)c(OC)c2OC)cc1OC ZINC000103297536

ZINC000103297536 (search)

COc1cc(OC)c(OC)cc1/C=C/c1ccc(OC)c(OC)c1 ZINC000103297539

ZINC000103297539 (search)

Cc1cc2c(ccc3c(-c4ccccc4)cc(=O)oc32)o1 ZINC000474609680

ZINC000474609680 (search)

O=c1cc(-c2ccccc2)c2ccc3c(c2o1)C=CCO3 ZINC000474602153

ZINC000474602153 (search)

COc1cccc(/C=C/C(=O)c2ccc[nH]2)c1 ZINC000005603597

ZINC000005603597 (search)

CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)ccc1O ZINC000005854698

ZINC000005854698 (search)

COc1cc(/C=C/C(=O)c2ccncc2)cc(OC)c1OC ZINC000013602116

ZINC000013602116 (search)

CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12 ZINC000000296185

ZINC000000296185 (search)

COc1ccc(/C=C/C(=O)c2ccncc2)cc1 ZINC000039121381

ZINC000039121381 (search)

Brc1ccc(/N=N/N2CCOCC2)cc1 ZINC000004615882

ZINC000004615882 (search)

Cc1cc2c(ccc3c(C)cc(=O)oc32)o1 ZINC000001618932

ZINC000001618932 (search)

O=C(/C=C/c1ccc(Br)cc1)c1ccc[nH]1 ZINC000098083889

ZINC000098083889 (search)

CCc1ccc(/C=C/C(=O)c2ccc[nH]2)o1 ZINC001772630707

ZINC001772630707 (search)

COc1ccc2c(c1OC)=CN1CCC3=CC(=O)C(=O)CC3=C1C=2 ZINC000367610589

ZINC000367610589 (search)