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P09917 | LOX5_HUMAN | Polyunsaturated fatty acid 5-lipoxygenase (ALOX5)

3D structures mapped by conservation among orthologs

[ Domain: "Lipase/lipooxygenase domain (PLAT/LH2 domain)" // PLAT ]

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[ Domain: "Lipase/lipooxygenase domain (PLAT/LH2 domain)" // PLAT,RNAse_Pc_like ]

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[ Domain: "Lipoxygenase" // Lipoxygenase ]

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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
CHEMBL16596 OBDepict Cl N S H 3 C H 3 C O HO H 3 C H 3 C H 3 C O N IC50 = 1.6 nM 587.19 CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Homo sapiens CHEMBL3118900 single protein format
CHEMBL423638 OBDepict H 3 C O O O F N N S O O CH 3 IC50 = 3.0 nM 536.63 COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(S(C)(=O)=O)cc4)n3)c2)CCOCC1 Homo sapiens CHEMBL618018 assay format
CHEMBL3238463 OBDepict O N H + N + N O _ O O _ O IC50 = 4.0 nM 337.29 O=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 Homo sapiens CHEMBL3240356 single protein format
CHEMBL3238207 OBDepict H 3 C O O + N + N O _ O O _ O IC50 = 6.0 nM 302.24 Cc1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 Homo sapiens CHEMBL3240356 single protein format
CHEMBL1290649 OBDepict H 3 C O O S N N N HO F F F CH 3 IC50 = 7.9 nM 475.49 CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(=O)OC)sc3c2)nn1)C(F)(F)F Homo sapiens CHEMBL1290999 single protein format
CHEMBL3113612 OBDepict CH 3 O O HN O O N S O O CH 3 IC50 = 8.0 nM 414.44 COC(=O)CNC(=O)C(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 Homo sapiens CHEMBL3118899 assay format
CHEMBL3113617 OBDepict HO O N H O O N S O O H 3 C Ki = 8.4 nM 400.41 Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)NCC(=O)O)c3ccccc32)cc1 Homo sapiens CHEMBL3118894 single protein format
CHEMBL3113617 OBDepict HO O N H O O N S O O H 3 C IC50 = 8.6 nM 400.41 Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)NCC(=O)O)c3ccccc32)cc1 Homo sapiens CHEMBL3118900 single protein format
CHEMBL377094 OBDepict F S HO F F F F F F O O O IC50 = 9.0 nM 504.38 O=c1cc(-c2ccoc2)c2ccc(Sc3cc(F)cc(C(O)(C(F)(F)F)C(F)(F)F)c3)cc2o1 Homo sapiens CHEMBL870097 single protein format
CHEMBL3113612 OBDepict CH 3 O O HN O O N S O O CH 3 Ki = 9.5 nM 414.44 COC(=O)CNC(=O)C(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 Homo sapiens CHEMBL3118894 single protein format
CHEMBL3113618 OBDepict HO O N H H O N O H N S O O H 3 C Ki = 9.9 nM 529.57 Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)c3ccccc32)cc1 Homo sapiens CHEMBL3118894 single protein format
CHEMBL88084 OBDepict H 3 C O O O IC50 = 10.0 nM 348.44 COC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCOCC1 Homo sapiens CHEMBL619885 single protein format
CHEMBL3113618 OBDepict HO O N H H O N O H N S O O H 3 C IC50 = 10.0 nM 529.57 Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)c3ccccc32)cc1 Homo sapiens CHEMBL3118900 single protein format
CHEMBL3238465 OBDepict H 3 C N H O + N + N O _ O O _ O IC50 = 10.0 nM 301.26 Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 Homo sapiens CHEMBL3240356 single protein format
CHEMBL1289215 OBDepict CH 3 HO F F F N N N S O H 3 C IC50 = 11.0 nM 459.49 CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(C)=O)sc3c2)nn1)C(F)(F)F Homo sapiens CHEMBL1290999 single protein format
CHEMBL129292 OBDepict H 3 C O O O O O IC50 = 14.0 nM 480.56 COC1(c2cccc(COc3ccc4c(-c5ccccc5)c5c(cc4c3)C(=O)OC5)c2)CCOCC1 Homo sapiens CHEMBL618012 single protein format
CHEMBL3113613 OBDepict H 3 C O O NH H O N O H N S O O CH 3 IC50 = 14.0 nM 543.6 COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 Homo sapiens CHEMBL3118899 assay format
CHEMBL204365 OBDepict CH 3 HO CH 3 O F O O O IC50 = 15.0 nM 422.45 CCC(O)(CC)c1cc(F)cc(OCc2ccc3c(-c4ccoc4)cc(=O)oc3c2)c1 Homo sapiens CHEMBL870097 single protein format
CHEMBL1289093 OBDepict H 3 C OH F F F N N N S OH IC50 = 19.0 nM 447.48 CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4)c(CO)sc3c2)nn1)C(F)(F)F Homo sapiens CHEMBL1290999 single protein format
CHEMBL150169 OBDepict H 3 C O O O O O IC50 = 20.0 nM 480.56 COC1(c2cccc(OCc3ccc4c(-c5ccccc5)c5c(cc4c3)C(=O)OC5)c2)CCOCC1 Homo sapiens CHEMBL619885 single protein format
CHEMBL310584 OBDepict F N O O OH N IC50 = 20.0 nM 492.55 O=C(O)c1ccc(CN(Cc2cccc(F)c2)c2ccc(OCc3ccc4ccccc4n3)cc2)cc1 Homo sapiens CHEMBL875087 cell-based format
CHEMBL278293 OBDepict N O O N OH O O IC50 = 20.0 nM 454.48 N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CC5COC(C4)O5)n3)cc2c1 Homo sapiens CHEMBL620874 single protein format
CHEMBL276850 OBDepict O N H IC50 = 20.0 nM 183.21 c1ccc2c(c1)Nc1ccccc1O2 Homo sapiens CHEMBL620775 single protein format
CHEMBL131135 OBDepict H 3 C O O HO O O O IC50 = 23.0 nM 496.56 COC1CC(O)(c2cccc(COc3ccc4c(-c5ccccc5)c5c(cc4c3)C(=O)OC5)c2)CCO1 Homo sapiens CHEMBL618012 single protein format
CHEMBL377821 OBDepict F S OH F F F F F F O O IC50 = 26.0 nM 514.42 O=c1cc(-c2ccccc2)c2ccc(Sc3cc(F)cc(C(O)(C(F)(F)F)C(F)(F)F)c3)cc2o1 Homo sapiens CHEMBL870097 single protein format
CHEMBL129018 OBDepict O O O O HO O IC50 = 26.0 nM 456.49 O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccoc1 Homo sapiens CHEMBL618012 single protein format
CHEMBL339993 OBDepict O O O S HO O IC50 = 27.0 nM 472.56 O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccsc1 Homo sapiens CHEMBL618012 single protein format
CHEMBL207057 OBDepict N N O O F OH H O O H IC50 = 27.0 nM 472.47 N#Cc1cc(-c2ccoc2)c2ccc(COc3cc(F)cc([C@]4(O)C[C@H]5CO[C@@H](C4)O5)c3)cc2n1 Homo sapiens CHEMBL870097 single protein format
CHEMBL120582 OBDepict H 3 C NH N O HO O O IC50 = 27.0 nM 340.38 CCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 Homo sapiens CHEMBL712607 assay format
CHEMBL22789 OBDepict N N O O F OH O O IC50 = 27.0 nM 472.47 N#Cc1cc(-c2ccoc2)c2ccc(COc3cc(F)cc(C4(O)CC5COC(C4)O5)c3)cc2n1 Homo sapiens CHEMBL620874 single protein format
CHEMBL205800 OBDepict F S OH F F F F F F O O F IC50 = 27.0 nM 532.41 O=c1cc(-c2ccc(F)cc2)c2cc(Sc3cc(F)cc(C(O)(C(F)(F)F)C(F)(F)F)c3)ccc2o1 Homo sapiens CHEMBL870097 single protein format
CHEMBL20403 OBDepict H 3 C O O O F N H 3 C O IC50 = 27.0 nM 397.45 COC1(c2cc(F)cc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1 Homo sapiens CHEMBL618007 tissue-based format
CHEMBL1289447 OBDepict CH 3 HO F F F N N N S O H 2 N IC50 = 28.0 nM 460.48 CC[C@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(N)=O)sc3c2)nn1)C(F)(F)F Homo sapiens CHEMBL1290999 single protein format
CHEMBL3238471 OBDepict O N H + N + N O _ O O _ O IC50 = 30.0 nM 363.33 O=C(Nc1cccc(-c2ccccc2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 Homo sapiens CHEMBL3240356 single protein format
CHEMBL4093584 OBDepict CH 3 OH O OH H 3 C O H 3 C IC50 = 30.0 nM 324.46 CCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC Homo sapiens CHEMBL3994871 single protein format
CHEMBL3099680 OBDepict OH N H S N N H O IC50 = 30.0 nM 445.59 O=C(Nc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1)C12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL3102107 assay format
CHEMBL99469 OBDepict N O O OH O IC50 = 30.0 nM 425.48 N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CCOCC4)c3)cc2c1 Homo sapiens CHEMBL618012 single protein format
CHEMBL316091 OBDepict H 3 C O O O N H 3 C O IC50 = 30.0 nM 379.46 COC1(c2cccc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1 Homo sapiens CHEMBL619882 tissue-based format
CHEMBL3353725 OBDepict CH 3 O S OH N Cl IC50 = 30.0 nM 331.82 COc1ccc(Cc2sc(-c3ccc(Cl)cc3)nc2O)cc1 Homo sapiens CHEMBL3383918 single protein format
CHEMBL444315 OBDepict O N OH H 3 C O IC50 = 30.0 nM 361.44 CC(c1ccccc1)N(O)C(=O)Cc1ccc(OCc2ccccc2)cc1 Homo sapiens CHEMBL618102 single protein format
CHEMBL3238466 OBDepict Cl N H O + N + N O _ O O _ O IC50 = 33.0 nM 321.68 O=C(Nc1cccc(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 Homo sapiens CHEMBL3240356 single protein format
CHEMBL3238468 OBDepict CH 3 O N H O + N + N O _ O O _ O IC50 = 34.0 nM 317.26 COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 Homo sapiens CHEMBL3240356 single protein format
CHEMBL120347 OBDepict CH 3 N H N O HO O O IC50 = 34.0 nM 354.41 CCCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 Homo sapiens CHEMBL712607 assay format
CHEMBL273714 OBDepict CH 3 O O N H O IC50 = 35.0 nM 281.31 CCOC(=O)/C=C/c1ccc2c(c1)Nc1ccccc1O2 Homo sapiens CHEMBL620775 single protein format
CHEMBL22751 OBDepict N N O O N OH O O IC50 = 36.0 nM 455.47 N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CC5COC(C4)O5)n3)cc2n1 Homo sapiens CHEMBL620874 single protein format
CHEMBL3113613 OBDepict H 3 C O O NH H O N O H N S O O CH 3 Ki = 37.0 nM 543.6 COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 Homo sapiens CHEMBL3118894 single protein format
CHEMBL120454 OBDepict CH 2 N H N O HO O O IC50 = 37.0 nM 352.39 C=CCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 Homo sapiens CHEMBL712607 assay format
CHEMBL1289557 OBDepict CH 3 HO F F F N N N S O H 2 N F IC50 = 39.0 nM 478.47 CC[C@](O)(c1cn(Cc2ccc3c(-c4cccc(F)c4)c(C(N)=O)sc3c2)nn1)C(F)(F)F Homo sapiens CHEMBL1290999 single protein format
CHEMBL3416361 OBDepict CH 3 O O O CH 3 O H 3 C IC50 = 40.0 nM 364.53 CCCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O Homo sapiens CHEMBL3420628 assay format
CHEMBL518103 OBDepict CH 3 O HO O H 3 C N N O IC50 = 40.0 nM 350.37 COc1cc(/C=C2CCn3c2nc2ccccc2c3=O)cc(OC)c1O Homo sapiens CHEMBL942442 single protein format
CHEMBL330120 OBDepict CH 3 O O O F S N H 3 C O IC50 = 40.0 nM 403.48 COC1(c2cc(F)cc(OCc3ccc4c(c3)sc(=O)n4C)c2)CCOCC1 Homo sapiens CHEMBL619882 tissue-based format
CHEMBL1290766 OBDepict CH 3 HO F F F N N N S IC50 = 40.0 nM 417.46 CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4)csc3c2)nn1)C(F)(F)F Homo sapiens CHEMBL1290999 single protein format
CHEMBL118929 OBDepict CH 3 N H N O HO O O IC50 = 41.0 nM 326.35 CNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 Homo sapiens CHEMBL712607 assay format
CHEMBL330889 OBDepict F O O N OH O NH 2 IC50 = 42.0 nM 330.31 NC(=O)N(O)CC1=Cc2cc(Oc3ccc(F)cc3)ccc2OC1 Homo sapiens CHEMBL712607 assay format
CHEMBL116719 OBDepict H 2 N N O OH O O IC50 = 43.0 nM 312.32 NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 Homo sapiens CHEMBL712607 assay format
CHEMBL58979 OBDepict OH CH 3 CH 3 S IC50 = 45.0 nM 230.33 Cc1cc(/C=C/c2ccsc2)cc(C)c1O Homo sapiens CHEMBL618006 single protein format
CHEMBL4291851 OBDepict CH 3 O O N H OH Cl Cl IC50 = 45.0 nM 414.29 CCOC(=O)c1c(Cc2ccc(Cl)c(Cl)c2)[nH]c2c1cc(O)c1ccccc12 Homo sapiens CHEMBL4273117 single protein format
CHEMBL333219 OBDepict H 3 C N H N O OH O O F IC50 = 45.0 nM 344.34 CNC(=O)N(O)CC1=Cc2cc(Oc3ccc(F)cc3)ccc2OC1 Homo sapiens CHEMBL712607 assay format
CHEMBL187637 OBDepict OH N O NH 2 O N N F F IC50 = 48.0 nM 534.61 NC(=O)N(O)CCC#Cc1ccc(OCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Homo sapiens CHEMBL826973 tissue-based format
CHEMBL520798 OBDepict CH 3 O O N H HO Cl IC50 = 49.0 nM 393.87 CCOC(=O)c1c(CCc2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc12 Homo sapiens CHEMBL939890 assay format
CHEMBL331062 OBDepict H 3 C NH CH 3 N O HO O O IC50 = 49.0 nM 354.41 CC(C)NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 Homo sapiens CHEMBL712607 assay format
CHEMBL4743283 OBDepict CH 3 H 3 C CH 3 N H O CH 3 O H 3 C OH IC50 = 50.0 nM 515.74 C/C(=CCC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CC/C=C(C)C(=O)NCc1ccccc1 Homo sapiens CHEMBL4708475 assay format
CHEMBL223256 OBDepict CH 3 OH OH CH 3 CH 3 O O H HO HO IC50 = 50.0 nM 424.49 CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 Homo sapiens CHEMBL4270863 single protein format
CHEMBL128300 OBDepict OH O O S N O IC50 = 50.0 nM 485.61 OC1(c2cccc(COc3ccc4c(-c5ccoc5)cc(C5=NCCS5)cc4c3)c2)CCOCC1 Homo sapiens CHEMBL618012 single protein format
CHEMBL146730 OBDepict CH 3 N HO O O IC50 = 50.0 nM 269.3 CN(O)C(=O)/C=C/c1cccc(Oc2ccccc2)c1 Homo sapiens CHEMBL619880 single protein format
CHEMBL293296 OBDepict HO N O O IC50 = 50.0 nM 347.41 O=C(c1ccc(OCc2ccccc2)cc1)N(O)CCc1ccccc1 Homo sapiens CHEMBL618102 single protein format
CHEMBL1907933 OBDepict F O O N H 3 C H HO O H 2 N IC50 = 50.0 nM 304.28 C[C@@H](C#Cc1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O Homo sapiens CHEMBL620873 tissue-based format
CHEMBL151726 OBDepict H 3 C O N S CH 3 O O O IC50 = 50.0 nM 521.64 CCC(OC)(c1cccc(OCc2ccc3c(-c4ccccc4)c4c(cc3c2)C(=O)OC4)c1)c1nccs1 Homo sapiens CHEMBL619885 single protein format
CHEMBL3318382 OBDepict Cl N S N H N O IC50 = 50.0 nM 371.89 Clc1ccc(-c2csc(Nc3ccc(N4CCOCC4)cc3)n2)cc1 Homo sapiens CHEMBL3362097 single protein format
CHEMBL3353726 OBDepict CH 3 O S OH N Cl IC50 = 50.0 nM 317.8 COc1ccc(-c2sc(-c3ccc(Cl)cc3)nc2O)cc1 Homo sapiens CHEMBL3383918 single protein format
CHEMBL89864 OBDepict H 3 C O O O F N N H 3 C O IC50 = 50.0 nM 398.43 COC1(c2cc(F)cc(OCc3ccc4c(c3)ncc(=O)n4C)c2)CCOCC1 Homo sapiens CHEMBL619882 tissue-based format
CHEMBL127779 OBDepict O N S O O OH O IC50 = 50.0 nM 511.6 O=C(c1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CCOCC4)c3)cc2c1)c1nccs1 Homo sapiens CHEMBL618012 single protein format
CHEMBL2023847 OBDepict Cl N S N H O O IC50 = 50.0 nM 330.8 Clc1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1 Homo sapiens CHEMBL3362097 single protein format
CHEMBL422430 OBDepict NH 2 N O OH O O IC50 = 53.0 nM 314.34 NC(=O)N(O)CC1COc2ccc(Oc3ccccc3)cc2C1 Homo sapiens CHEMBL712607 assay format
CHEMBL56798 OBDepict HO CH 3 H 3 C S IC50 = 54.0 nM 230.33 Cc1cc(/C=C/c2cccs2)cc(C)c1O Homo sapiens CHEMBL618006 single protein format
CHEMBL1289558 OBDepict H 3 C OH F F F N N N S O NH 2 F IC50 = 55.0 nM 478.47 CC[C@](O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)c(C(N)=O)sc3c2)nn1)C(F)(F)F Homo sapiens CHEMBL1290999 single protein format
CHEMBL138551 OBDepict Cl N S S O CH 3 O HO N IC50 = 55.0 nM 587.17 CC1Cc2c(OCc3ccccn3)ccc3c2c(c(CSc2ccccc2C(=O)O)n3Cc2ccc(Cl)cc2)S1 Homo sapiens CHEMBL618017 single protein format
CHEMBL205189 OBDepict F O OH F F F F F F O O F IC50 = 55.0 nM 530.37 O=c1cc(-c2ccc(F)cc2)c2ccc(COc3cc(F)cc(C(O)(C(F)(F)F)C(F)(F)F)c3)cc2o1 Homo sapiens CHEMBL870097 single protein format
CHEMBL1289446 OBDepict CH 3 HO F F F N N N S O H 2 N IC50 = 55.0 nM 460.48 CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4)c(C(N)=O)sc3c2)nn1)C(F)(F)F Homo sapiens CHEMBL1290999 single protein format
CHEMBL360202 OBDepict Cl N N O N OH O NH 2 IC50 = 57.0 nM 585.15 NC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1 Homo sapiens CHEMBL826973 tissue-based format
CHEMBL4463788 OBDepict CH 3 CH 3 O CH 3 CH 3 CH 3 HO O OH IC50 = 57.0 nM 426.6 C/C(=CCC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CC/C=C(C)C(=O)O Homo sapiens CHEMBL4708475 assay format
CHEMBL69022 OBDepict H 3 C O O O O OH CH 3 CH 3 O HO CH 3 IC50 = 58.0 nM 428.48 CCCCCCc1c(-c2ccc(O)c(O)c2)oc2c(OC)c(OC)cc(OC)c2c1=O Homo sapiens CHEMBL615635 assay format
CHEMBL264717 OBDepict F O O N HO O NH 2 IC50 = 60.0 nM 290.25 NC(=O)N(O)CC#Cc1ccc(Oc2ccc(F)cc2)o1 Homo sapiens CHEMBL620873 tissue-based format
CHEMBL4085835 OBDepict CH 3 OH O OH H 3 C O H 3 C IC50 = 60.0 nM 352.52 CCCCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC Homo sapiens CHEMBL3994870 assay format
CHEMBL463675 OBDepict H 3 C O OH OH H O O HO OH H 3 C CH 3 H 3 C IC50 = 60.0 nM 454.52 COc1cc([C@@H]2CC(=O)c3c(cc(O)c(C/C=C(C)CCC=C(C)C)c3O)O2)cc(O)c1O Homo sapiens CHEMBL4270863 single protein format
CHEMBL163569 OBDepict CH 3 O O O F N H 3 C N IC50 = 60.0 nM 396.46 COC1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1 Homo sapiens CHEMBL619884 tissue-based format
CHEMBL2092747 OBDepict H 3 C O H CH 3 O F N H 3 C O IC50 = 60.0 nM 409.5 CC[C@@]1(c2cc(F)cc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCO[C@H](C)C1 Homo sapiens CHEMBL618007 tissue-based format
CHEMBL3288316 OBDepict _ O + N O S O O N N H CH 3 H 3 C CH 3 IC50 = 60.0 nM 359.41 CC(C)(C)c1cccc(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1 Homo sapiens CHEMBL3295575 single protein format
CHEMBL221137 OBDepict H 3 C O HO OH O IC50 = 60.0 nM 294.39 CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O Homo sapiens CHEMBL3420628 assay format
CHEMBL29097 OBDepict Cl N S CH 3 CH 3 O OH CH 3 H 3 C CH 3 CH 3 CH 3 IC50 = 60.0 nM 472.09 CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1 Homo sapiens CHEMBL618019 cell-based format
CHEMBL464446 OBDepict CH 3 O O O O CH 3 CH 3 N N O IC50 = 60.0 nM 392.41 COc1cc(/C=C2CCn3c2nc2ccccc2c3=O)cc(OC)c1OC(C)=O Homo sapiens CHEMBL942442 single protein format
CHEMBL4251024 OBDepict H 3 C CH 3 H 3 C N N Cl O OH IC50 = 60.0 nM 475.03 CC(C)Cc1ccc(C(C)c2nc3cc(CCC(=O)O)ccc3n2Cc2ccccc2Cl)cc1 Homo sapiens CHEMBL4231616 single protein format
CHEMBL68593 OBDepict H 3 C O O O O OH CH 3 CH 3 O HO CH 3 IC50 = 62.0 nM 456.54 CCCCCCCCc1c(-c2ccc(O)c(O)c2)oc2c(OC)c(OC)cc(OC)c2c1=O Homo sapiens CHEMBL615635 assay format
CHEMBL331931 OBDepict CH 3 N H N O OH O O IC50 = 65.0 nM 368.43 CCCCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 Homo sapiens CHEMBL712607 assay format
CHEMBL12681 OBDepict CH 3 O O N H O IC50 = 65.0 nM 241.25 COC(=O)c1ccc2c(c1)Nc1ccccc1O2 Homo sapiens CHEMBL620775 single protein format
CHEMBL56833 OBDepict CH 2 HO H 3 C S IC50 = 65.0 nM 256.37 C=CCc1cc(/C=C/c2cccs2)cc(C)c1O Homo sapiens CHEMBL618006 single protein format
CHEMBL2105653 OBDepict H 3 C HO F F F N O N NH O O F IC50 = 65.0 nM 463.39 CC[C@](O)(c1nnc(NCc2ccc3c(-c4ccc(F)cc4)cc(=O)oc3c2)o1)C(F)(F)F Homo sapiens CHEMBL4152533 single protein format
CHEMBL3781006 OBDepict Cl O N O OH O N IC50 = 65.0 nM 456.89 O=C(O)c1noc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1-c1ccc(Cl)cc1 Homo sapiens CHEMBL4152533 single protein format
CHEMBL4172824 OBDepict F O N N H CH 3 H 3 C OH IC50 = 65.0 nM 298.32 Cc1cc(Nc2ncc(-c3ccc(F)cc3)o2)cc(C)c1O Homo sapiens CHEMBL4152533 single protein format
CHEMBL4757880 OBDepict H 3 C N O CH 3 H 3 C H 3 C H 3 C O CH 3 OH IC50 = 65.0 nM 543.79 CCN(Cc1ccccc1)C(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 Homo sapiens CHEMBL4708475 assay format