Compile Data Set for Download or QSAR
Found 53 Enz. Inhib. hit(s) with all data for entry = 50036452
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50040423(7-(3-(4-methoxytetrahydro-2H-pyran-4-yl)benzyloxy)...)
Show SMILES COC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C31H28O5/c1-33-31(12-14-34-15-13-31)24-9-5-6-21(16-24)19-35-25-10-11-26-23(17-25)18-27-28(20-36-30(27)32)29(26)22-7-3-2-4-8-22/h2-11,16-18H,12-15,19-20H2,1H3
Affinity DataIC50: 14nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053534(7-[3-(4-Hydroxy-2-methoxy-tetrahydro-pyran-4-yl)-b...)
Show SMILES COC1CC(O)(CCO1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C31H28O6/c1-34-28-17-31(33,12-13-35-28)23-9-5-6-20(14-23)18-36-24-10-11-25-22(15-24)16-26-27(19-37-30(26)32)29(25)21-7-3-2-4-8-21/h2-11,14-16,28,33H,12-13,17-19H2,1H3
Affinity DataIC50: 23nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053537(4-Furan-3-yl-7-[3-(4-hydroxy-tetrahydro-pyran-4-yl...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccoc2)c1
Show InChI InChI=1S/C28H24O6/c29-27-24-14-20-13-22(4-5-23(20)26(25(24)17-34-27)19-6-9-32-16-19)33-15-18-2-1-3-21(12-18)28(30)7-10-31-11-8-28/h1-6,9,12-14,16,30H,7-8,10-11,15,17H2
Affinity DataIC50: 26nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053564(7-[3-(4-Hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccsc2)c1
Show InChI InChI=1S/C28H24O5S/c29-27-24-14-20-13-22(4-5-23(20)26(25(24)16-33-27)19-6-11-34-17-19)32-15-18-2-1-3-21(12-18)28(30)7-9-31-10-8-28/h1-6,11-14,17,30H,7-10,15-16H2
Affinity DataIC50: 27nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053554(4-Furan-3-yl-7-[3-(4-hydroxy-tetrahydro-pyran-4-yl...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)c1
Show InChI InChI=1S/C27H23NO4/c28-16-20-12-22-15-24(4-5-25(22)26(14-20)21-6-9-31-18-21)32-17-19-2-1-3-23(13-19)27(29)7-10-30-11-8-27/h1-6,9,12-15,18,29H,7-8,10-11,17H2
Affinity DataIC50: 30nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053566(4-{3-[7-(4,5-Dihydro-thiazol-2-yl)-5-furan-3-yl-na...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C2=NCCS2)-c2ccoc2)c1
Show InChI InChI=1S/C29H27NO4S/c31-29(7-11-32-12-8-29)24-3-1-2-20(14-24)18-34-25-4-5-26-22(16-25)15-23(28-30-9-13-35-28)17-27(26)21-6-10-33-19-21/h1-6,10,14-17,19,31H,7-9,11-13,18H2
Affinity DataIC50: 50nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053529(CHEMBL127779 | {4-Furan-3-yl-7-[3-(4-hydroxy-tetra...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C(=O)c2nccs2)-c2ccoc2)c1
Show InChI InChI=1S/C30H25NO5S/c32-28(29-31-9-13-37-29)23-15-22-16-25(4-5-26(22)27(17-23)21-6-10-35-19-21)36-18-20-2-1-3-24(14-20)30(33)7-11-34-12-8-30/h1-6,9-10,13-17,19,33H,7-8,11-12,18H2
Affinity DataIC50: 50nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053539(4-{3-[7-(4,5-Dihydro-oxazol-2-yl)-5-furan-3-yl-nap...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C2=NCCO2)-c2ccoc2)c1
Show InChI InChI=1S/C29H27NO5/c31-29(7-11-32-12-8-29)24-3-1-2-20(14-24)18-35-25-4-5-26-22(16-25)15-23(28-30-9-13-34-28)17-27(26)21-6-10-33-19-21/h1-6,10,14-17,19,31H,7-9,11-13,18H2
Affinity DataIC50: 70nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053549(CHEMBL338461 | {4-Furan-3-yl-7-[3-(4-hydroxy-tetra...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C(=O)c2ccccc2)-c2ccoc2)c1
Show InChI InChI=1S/C33H28O5/c34-32(24-6-2-1-3-7-24)27-18-26-19-29(9-10-30(26)31(20-27)25-11-14-37-22-25)38-21-23-5-4-8-28(17-23)33(35)12-15-36-16-13-33/h1-11,14,17-20,22,35H,12-13,15-16,21H2
Affinity DataIC50: 70nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053543(7-[3-(4-Hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-...)
Show SMILES COC(=O)c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
Show InChI InChI=1S/C30H28O5/c1-33-29(31)24-17-23-18-26(10-11-27(23)28(19-24)22-7-3-2-4-8-22)35-20-21-6-5-9-25(16-21)30(32)12-14-34-15-13-30/h2-11,16-19,32H,12-15,20H2,1H3
Affinity DataIC50: 70nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053518(4-{3-[5-Furan-3-yl-7-(3-methyl-1H-tetrazol-5-yl)-n...)
Show SMILES Cn1nnc(n1)-c1cc(-c2ccoc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
Show InChI InChI=1S/C28H26N4O4/c1-32-30-27(29-31-32)22-14-21-15-24(5-6-25(21)26(16-22)20-7-10-35-18-20)36-17-19-3-2-4-23(13-19)28(33)8-11-34-12-9-28/h2-7,10,13-16,18,33H,8-9,11-12,17H2,1H3
Affinity DataIC50: 80nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053538(7-[3-(4-Hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-...)
Show SMILES COc1cccc(c1)-c1c2COC(=O)c2cc2cc(OCc3cccc(c3)C3(O)CCOCC3)ccc12
Show InChI InChI=1S/C31H28O6/c1-34-24-7-3-5-21(15-24)29-26-9-8-25(16-22(26)17-27-28(29)19-37-30(27)32)36-18-20-4-2-6-23(14-20)31(33)10-12-35-13-11-31/h2-9,14-17,33H,10-13,18-19H2,1H3
Affinity DataIC50: 80nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053542(7-[3-(4-Hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C30H26O5/c31-29-26-17-22-16-24(9-10-25(22)28(27(26)19-35-29)21-6-2-1-3-7-21)34-18-20-5-4-8-23(15-20)30(32)11-13-33-14-12-30/h1-10,15-17,32H,11-14,18-19H2
Affinity DataIC50: 115nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053527(4-{3-[7-(3-Methyl-1H-tetrazol-5-yl)-5-phenyl-napht...)
Show SMILES Cn1nnc(n1)-c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
Show InChI InChI=1S/C30H28N4O3/c1-34-32-29(31-33-34)24-17-23-18-26(10-11-27(23)28(19-24)22-7-3-2-4-8-22)37-20-21-6-5-9-25(16-21)30(35)12-14-36-15-13-30/h2-11,16-19,35H,12-15,20H2,1H3
Affinity DataIC50: 120nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053523(CHEMBL340737 | {4-Furan-3-yl-7-[3-(4-hydroxy-tetra...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C(=O)c2cccnc2)-c2ccoc2)c1
Show InChI InChI=1S/C32H27NO5/c34-31(23-4-2-11-33-19-23)26-16-25-17-28(6-7-29(25)30(18-26)24-8-12-37-21-24)38-20-22-3-1-5-27(15-22)32(35)9-13-36-14-10-32/h1-8,11-12,15-19,21,35H,9-10,13-14,20H2
Affinity DataIC50: 120nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053521(7-[3-(4-Hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(cc(cc3c2)C#N)-c2ccccc2)c1
Show InChI InChI=1S/C29H25NO3/c30-19-22-15-24-18-26(9-10-27(24)28(17-22)23-6-2-1-3-7-23)33-20-21-5-4-8-25(16-21)29(31)11-13-32-14-12-29/h1-10,15-18,31H,11-14,20H2
Affinity DataIC50: 120nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053522(1-{7-[3-(4-Hydroxy-tetrahydro-pyran-4-yl)-benzylox...)
Show SMILES CC(=O)c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
Show InChI InChI=1S/C30H28O4/c1-21(31)24-17-25-18-27(10-11-28(25)29(19-24)23-7-3-2-4-8-23)34-20-22-6-5-9-26(16-22)30(32)12-14-33-15-13-30/h2-11,16-19,32H,12-15,20H2,1H3
Affinity DataIC50: 130nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053557(4-[3-(5-Furan-3-yl-7-thiazol-2-ylmethyl-naphthalen...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(cc(Cc4nccs4)cc3c2)-c2ccoc2)c1
Show InChI InChI=1S/C30H27NO4S/c32-30(7-11-33-12-8-30)25-3-1-2-21(15-25)19-35-26-4-5-27-24(18-26)14-22(17-29-31-9-13-36-29)16-28(27)23-6-10-34-20-23/h1-6,9-10,13-16,18,20,32H,7-8,11-12,17,19H2
Affinity DataIC50: 140nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053551(4-(4-Fluoro-phenyl)-7-[3-(4-hydroxy-tetrahydro-pyr...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C30H25FO5/c31-23-6-4-20(5-7-23)28-25-9-8-24(15-21(25)16-26-27(28)18-36-29(26)32)35-17-19-2-1-3-22(14-19)30(33)10-12-34-13-11-30/h1-9,14-16,33H,10-13,17-18H2
Affinity DataIC50: 140nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053553(4-[3-(7-Methoxymethyl-5-phenyl-naphthalen-2-yloxym...)
Show SMILES COCc1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
Show InChI InChI=1S/C30H30O4/c1-32-20-23-16-25-19-27(10-11-28(25)29(18-23)24-7-3-2-4-8-24)34-21-22-6-5-9-26(17-22)30(31)12-14-33-15-13-30/h2-11,16-19,31H,12-15,20-21H2,1H3
Affinity DataIC50: 160nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053525(7-[3-(4-Hydroxy-2,6-dimethyl-tetrahydro-pyran-4-yl...)
Show SMILES CC1CC(O)(CC(C)O1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C32H30O5/c1-20-16-32(34,17-21(2)37-20)25-10-6-7-22(13-25)18-35-26-11-12-27-24(14-26)15-28-29(19-36-31(28)33)30(27)23-8-4-3-5-9-23/h3-15,20-21,34H,16-19H2,1-2H3
Affinity DataIC50: 180nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053565(4-{3-[7-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-5-f...)
Show SMILES CC1(C)COC(=N1)c1cc(-c2ccoc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
Show InChI InChI=1S/C31H31NO5/c1-30(2)20-37-29(32-30)24-15-23-16-26(6-7-27(23)28(17-24)22-8-11-35-19-22)36-18-21-4-3-5-25(14-21)31(33)9-12-34-13-10-31/h3-8,11,14-17,19,33H,9-10,12-13,18,20H2,1-2H3
Affinity DataIC50: 190nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053548(4-Furan-3-yl-7-[3-(3-hydroxy-6,8-dioxa-bicyclo[3.2...)
Show SMILES OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)c1
Show InChI InChI=1S/C28H23NO5/c29-14-19-8-21-11-23(4-5-25(21)26(10-19)20-6-7-31-16-20)32-15-18-2-1-3-22(9-18)28(30)12-24-17-33-27(13-28)34-24/h1-11,16,24,27,30H,12-13,15,17H2
Affinity DataIC50: 190nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053519(7-[3-(3-Hydroxy-6,8-dioxa-bicyclo[3.2.1]oct-3-yl)-...)
Show SMILES OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C31H26O6/c32-30-26-13-21-12-23(9-10-25(21)29(27(26)18-36-30)20-6-2-1-3-7-20)34-16-19-5-4-8-22(11-19)31(33)14-24-17-35-28(15-31)37-24/h1-13,24,28,33H,14-18H2
Affinity DataIC50: 240nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053555(4-[3-(7-Hydroxymethyl-5-phenyl-naphthalen-2-yloxym...)
Show SMILES OCc1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
Show InChI InChI=1S/C29H28O4/c30-19-22-15-24-18-26(9-10-27(24)28(17-22)23-6-2-1-3-7-23)33-20-21-5-4-8-25(16-21)29(31)11-13-32-14-12-29/h1-10,15-18,30-31H,11-14,19-20H2
Affinity DataIC50: 260nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053558(4-Furan-2-yl-7-[3-(4-hydroxy-tetrahydro-pyran-4-yl...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccco2)c1
Show InChI InChI=1S/C28H24O6/c29-27-23-15-19-14-21(6-7-22(19)26(24(23)17-34-27)25-5-2-10-32-25)33-16-18-3-1-4-20(13-18)28(30)8-11-31-12-9-28/h1-7,10,13-15,30H,8-9,11-12,16-17H2
Affinity DataIC50: 280nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053562(7-[3-(3-Hydroxy-8-oxa-bicyclo[3.2.1]oct-3-yl)-benz...)
Show SMILES OC1(CC2CCC(C1)O2)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C32H28O5/c33-31-28-15-22-14-24(11-12-27(22)30(29(28)19-36-31)21-6-2-1-3-7-21)35-18-20-5-4-8-23(13-20)32(34)16-25-9-10-26(17-32)37-25/h1-8,11-15,25-26,34H,9-10,16-19H2
Affinity DataIC50: 320nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50000829(6-((3-fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C23H24FNO4/c1-25-21-5-3-16(11-17(21)4-6-22(25)26)15-29-20-13-18(12-19(24)14-20)23(27-2)7-9-28-10-8-23/h3-6,11-14H,7-10,15H2,1-2H3
Affinity DataIC50: 330nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053540(4-Furan-3-yl-7-[3-(3-hydroxy-6,8-dioxa-bicyclo[3.2...)
Show SMILES OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(-c4ccoc4)c4COC(=O)c4cc3c2)c1
Show InChI InChI=1S/C29H24O7/c30-28-24-10-19-9-21(4-5-23(19)27(25(24)16-35-28)18-6-7-32-14-18)33-13-17-2-1-3-20(8-17)29(31)11-22-15-34-26(12-29)36-22/h1-10,14,22,26,31H,11-13,15-16H2
Affinity DataIC50: 340nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053540(4-Furan-3-yl-7-[3-(3-hydroxy-6,8-dioxa-bicyclo[3.2...)
Show SMILES OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(-c4ccoc4)c4COC(=O)c4cc3c2)c1
Show InChI InChI=1S/C29H24O7/c30-28-24-10-19-9-21(4-5-23(19)27(25(24)16-35-28)18-6-7-32-14-18)33-13-17-2-1-3-20(8-17)29(31)11-22-15-34-26(12-29)36-22/h1-10,14,22,26,31H,11-13,15-16H2
Affinity DataIC50: 340nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053520(4-(2-Fluoro-phenyl)-7-[3-(4-hydroxy-tetrahydro-pyr...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2F)c1
Show InChI InChI=1S/C30H25FO5/c31-27-7-2-1-6-24(27)28-23-9-8-22(15-20(23)16-25-26(28)18-36-29(25)32)35-17-19-4-3-5-21(14-19)30(33)10-12-34-13-11-30/h1-9,14-16,33H,10-13,17-18H2
Affinity DataIC50: 360nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053561(4-(2-Chloro-phenyl)-7-[3-(4-hydroxy-tetrahydro-pyr...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2Cl)c1
Show InChI InChI=1S/C30H25ClO5/c31-27-7-2-1-6-24(27)28-23-9-8-22(15-20(23)16-25-26(28)18-36-29(25)32)35-17-19-4-3-5-21(14-19)30(33)10-12-34-13-11-30/h1-9,14-16,33H,10-13,17-18H2
Affinity DataIC50: 380nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053531(7-[3-(4-Hydroxy-2-oxo-tetrahydro-pyran-4-yl)-benzy...)
Show SMILES OC1(CCOC(=O)C1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C30H24O6/c31-27-16-30(33,11-12-34-27)22-8-4-5-19(13-22)17-35-23-9-10-24-21(14-23)15-25-26(18-36-29(25)32)28(24)20-6-2-1-3-7-20/h1-10,13-15,33H,11-12,16-18H2
Affinity DataIC50: 390nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053547(7-[3-(3-Hydroxy-8-oxa-bicyclo[3.2.1]oct-6-en-3-yl)...)
Show SMILES OC1(CC2OC(C1)C=C2)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C32H26O5/c33-31-28-15-22-14-24(11-12-27(22)30(29(28)19-36-31)21-6-2-1-3-7-21)35-18-20-5-4-8-23(13-20)32(34)16-25-9-10-26(17-32)37-25/h1-15,25-26,34H,16-19H2
Affinity DataIC50: 400nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053526(4-{3-[7-(1-Hydroxy-ethyl)-5-phenyl-naphthalen-2-yl...)
Show SMILES CC(O)c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
Show InChI InChI=1S/C30H30O4/c1-21(31)24-17-25-18-27(10-11-28(25)29(19-24)23-7-3-2-4-8-23)34-20-22-6-5-9-26(16-22)30(32)12-14-33-15-13-30/h2-11,16-19,21,31-32H,12-15,20H2,1H3
Affinity DataIC50: 520nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053559(4-[3-(7-Imidazol-1-ylmethyl-5-phenyl-naphthalen-2-...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(cc(Cn4ccnc4)cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C32H30N2O3/c35-32(11-15-36-16-12-32)28-8-4-5-24(18-28)22-37-29-9-10-30-27(20-29)17-25(21-34-14-13-33-23-34)19-31(30)26-6-2-1-3-7-26/h1-10,13-14,17-20,23,35H,11-12,15-16,21-22H2
Affinity DataIC50: 640nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053545(7-[3-(4-Hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2cccnc2)c1
Show InChI InChI=1S/C29H25NO5/c31-28-25-15-21-14-23(6-7-24(21)27(26(25)18-35-28)20-4-2-10-30-16-20)34-17-19-3-1-5-22(13-19)29(32)8-11-33-12-9-29/h1-7,10,13-16,32H,8-9,11-12,17-18H2
Affinity DataIC50: 720nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053541(4-[3-(7-Ethyl-5-phenyl-naphthalen-2-yloxymethyl)-p...)
Show SMILES CCc1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
Show InChI InChI=1S/C30H30O3/c1-2-22-17-25-20-27(11-12-28(25)29(19-22)24-8-4-3-5-9-24)33-21-23-7-6-10-26(18-23)30(31)13-15-32-16-14-30/h3-12,17-20,31H,2,13-16,21H2,1H3
Affinity DataIC50: 760nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053533(7-[3-(2,4-Dihydroxy-tetrahydro-pyran-4-yl)-benzylo...)
Show SMILES OC1CC(O)(CCO1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C30H26O6/c31-27-16-30(33,11-12-34-27)22-8-4-5-19(13-22)17-35-23-9-10-24-21(14-23)15-25-26(18-36-29(25)32)28(24)20-6-2-1-3-7-20/h1-10,13-15,27,31,33H,11-12,16-18H2
Affinity DataIC50: 810nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053560(4-{3-[7-(1-Methoxy-ethyl)-5-phenyl-naphthalen-2-yl...)
Show SMILES COC(C)c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
Show InChI InChI=1S/C31H32O4/c1-22(33-2)25-18-26-19-28(11-12-29(26)30(20-25)24-8-4-3-5-9-24)35-21-23-7-6-10-27(17-23)31(32)13-15-34-16-14-31/h3-12,17-20,22,32H,13-16,21H2,1-2H3
Affinity DataIC50: 1.20E+3nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053528(7-[3-(4-Hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-...)
Show SMILES CC1OC(=O)c2cc3cc(OCc4cccc(c4)C4(O)CCOCC4)ccc3c(c12)-c1ccccc1
Show InChI InChI=1S/C31H28O5/c1-20-28-27(30(32)36-20)18-23-17-25(10-11-26(23)29(28)22-7-3-2-4-8-22)35-19-21-6-5-9-24(16-21)31(33)12-14-34-15-13-31/h2-11,16-18,20,33H,12-15,19H2,1H3
Affinity DataIC50: 1.30E+3nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053524(4-{3-[7-(1-Hydroxy-1-methyl-ethyl)-5-phenyl-naphth...)
Show SMILES CC(C)(O)c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
Show InChI InChI=1S/C31H32O4/c1-30(2,32)26-18-24-19-27(11-12-28(24)29(20-26)23-8-4-3-5-9-23)35-21-22-7-6-10-25(17-22)31(33)13-15-34-16-14-31/h3-12,17-20,32-33H,13-16,21H2,1-2H3
Affinity DataIC50: 1.50E+3nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053536(4-Butyl-7-[3-(4-hydroxy-tetrahydro-pyran-4-yl)-ben...)
Show SMILES CCCCc1cc(cc2cc(OCc3cccc(c3)C3(O)CCOCC3)ccc12)C(=O)OC
Show InChI InChI=1S/C28H32O5/c1-3-4-7-21-16-23(27(29)31-2)17-22-18-25(9-10-26(21)22)33-19-20-6-5-8-24(15-20)28(30)11-13-32-14-12-28/h5-6,8-10,15-18,30H,3-4,7,11-14,19H2,1-2H3
Affinity DataIC50: 2.20E+3nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053530(4-{3-[7-(4-Methyl-1H-tetrazol-5-yl)-5-phenyl-napht...)
Show SMILES Cn1nnnc1-c1cc(-c2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
Show InChI InChI=1S/C30H28N4O3/c1-34-29(31-32-33-34)24-17-23-18-26(10-11-27(23)28(19-24)22-7-3-2-4-8-22)37-20-21-6-5-9-25(16-21)30(35)12-14-36-15-13-30/h2-11,16-19,35H,12-15,20H2,1H3
Affinity DataIC50: 3.00E+3nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50000541((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
Affinity DataIC50: 3.70E+3nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50029559(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
Affinity DataIC50: 5.00E+3nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053535(4-(4-Chloro-phenyl)-7-[3-(4-hydroxy-tetrahydro-pyr...)
Show SMILES OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C30H25ClO5/c31-23-6-4-20(5-7-23)28-25-9-8-24(15-21(25)16-26-27(28)18-36-29(26)32)35-17-19-2-1-3-22(14-19)30(33)10-12-34-13-11-30/h1-9,14-16,33H,10-13,17-18H2
Affinity DataIC50: 5.50E+3nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053552(3-Hydroxy-7-[3-(4-hydroxy-tetrahydro-pyran-4-yl)-b...)
Show SMILES OC1OC(=O)c2cc3cc(OCc4cccc(c4)C4(O)CCOCC4)ccc3c(c12)-c1ccccc1
Show InChI InChI=1S/C30H26O6/c31-28-25-17-21-16-23(35-18-19-5-4-8-22(15-19)30(33)11-13-34-14-12-30)9-10-24(21)26(27(25)29(32)36-28)20-6-2-1-3-7-20/h1-10,15-17,29,32-33H,11-14,18H2
Affinity DataIC50: 6.00E+3nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053550(7-[3-(4-Hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-...)
Show SMILES CC1(C)OC(=O)c2cc3cc(OCc4cccc(c4)C4(O)CCOCC4)ccc3c(c12)-c1ccccc1
Show InChI InChI=1S/C32H30O5/c1-31(2)29-27(30(33)37-31)19-23-18-25(11-12-26(23)28(29)22-8-4-3-5-9-22)36-20-21-7-6-10-24(17-21)32(34)13-15-35-16-14-32/h3-12,17-19,34H,13-16,20H2,1-2H3
Affinity DataIC50: 6.00E+3nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50053556(4-Benzyl-7-[3-(4-hydroxy-tetrahydro-pyran-4-yl)-be...)
Show SMILES COC(=O)c1cc(Cc2ccccc2)c2ccc(OCc3cccc(c3)C3(O)CCOCC3)cc2c1
Show InChI InChI=1S/C31H30O5/c1-34-30(32)26-18-24(16-22-6-3-2-4-7-22)29-11-10-28(20-25(29)19-26)36-21-23-8-5-9-27(17-23)31(33)12-14-35-15-13-31/h2-11,17-20,33H,12-16,21H2,1H3
Affinity DataIC50: 6.00E+3nMAssay Description:Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenaseMore data for this Ligand-Target Pair
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