Compile Data Set for Download or QSAR
Found 43 Enz. Inhib. hit(s) with all data for entry = 50002022
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019543(CHEMBL75651 | N-[3-(4-Hexyl-3-methoxy-phenoxymethy...)
Show SMILES CCCCCCc1ccc(OCc2cccc(NC(=O)CCC(=O)OC)c2)cc1OC
Show InChI InChI=1S/C25H33NO5/c1-4-5-6-7-10-20-12-13-22(17-23(20)29-2)31-18-19-9-8-11-21(16-19)26-24(27)14-15-25(28)30-3/h8-9,11-13,16-17H,4-7,10,14-15,18H2,1-3H3,(H,26,27)
Affinity DataIC50: 1.08E+3nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019560(CHEMBL77872 | N-[3-(4-Acetyl-3-hydroxy-2-propyl-ph...)
Show SMILES CCCc1c(O)c(ccc1OCc1cccc(NC(=O)CC(=O)OC)c1)C(C)=O
Show InChI InChI=1S/C22H25NO6/c1-4-6-18-19(10-9-17(14(2)24)22(18)27)29-13-15-7-5-8-16(11-15)23-20(25)12-21(26)28-3/h5,7-11,27H,4,6,12-13H2,1-3H3,(H,23,25)
Affinity DataIC50: 1.10E+3nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019543(CHEMBL75651 | N-[3-(4-Hexyl-3-methoxy-phenoxymethy...)
Show SMILES CCCCCCc1ccc(OCc2cccc(NC(=O)CCC(=O)OC)c2)cc1OC
Show InChI InChI=1S/C25H33NO5/c1-4-5-6-7-10-20-12-13-22(17-23(20)29-2)31-18-19-9-8-11-21(16-19)26-24(27)14-15-25(28)30-3/h8-9,11-13,16-17H,4-7,10,14-15,18H2,1-3H3,(H,26,27)
Affinity DataIC50: 1.33E+3nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019546(CHEMBL73936 | N-[3-(4-Hexyl-3-methoxy-phenoxymethy...)
Show SMILES CCCCCCc1ccc(OCc2cccc(NC(=O)CC(=O)OC)c2)cc1OC
Show InChI InChI=1S/C24H31NO5/c1-4-5-6-7-10-19-12-13-21(15-22(19)28-2)30-17-18-9-8-11-20(14-18)25-23(26)16-24(27)29-3/h8-9,11-15H,4-7,10,16-17H2,1-3H3,(H,25,26)
Affinity DataIC50: 1.59E+3nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019546(CHEMBL73936 | N-[3-(4-Hexyl-3-methoxy-phenoxymethy...)
Show SMILES CCCCCCc1ccc(OCc2cccc(NC(=O)CC(=O)OC)c2)cc1OC
Show InChI InChI=1S/C24H31NO5/c1-4-5-6-7-10-19-12-13-21(15-22(19)28-2)30-17-18-9-8-11-20(14-18)25-23(26)16-24(27)29-3/h8-9,11-15H,4-7,10,16-17H2,1-3H3,(H,25,26)
Affinity DataIC50: 1.70E+3nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019559(CHEMBL76884 | N-[3-(4-Hexanoyl-3-hydroxy-phenoxyme...)
Show SMILES CCCCCC(=O)c1ccc(OCc2cccc(NC(=O)CCC(=O)OC)c2)cc1O
Show InChI InChI=1S/C24H29NO6/c1-3-4-5-9-21(26)20-11-10-19(15-22(20)27)31-16-17-7-6-8-18(14-17)25-23(28)12-13-24(29)30-2/h6-8,10-11,14-15,27H,3-5,9,12-13,16H2,1-2H3,(H,25,28)
Affinity DataIC50: 2.01E+3nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019559(CHEMBL76884 | N-[3-(4-Hexanoyl-3-hydroxy-phenoxyme...)
Show SMILES CCCCCC(=O)c1ccc(OCc2cccc(NC(=O)CCC(=O)OC)c2)cc1O
Show InChI InChI=1S/C24H29NO6/c1-3-4-5-9-21(26)20-11-10-19(15-22(20)27)31-16-17-7-6-8-18(14-17)25-23(28)12-13-24(29)30-2/h6-8,10-11,14-15,27H,3-5,9,12-13,16H2,1-2H3,(H,25,28)
Affinity DataIC50: 2.24E+3nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019552(CHEMBL308573 | N-[3-(4-Hexanoyl-3-methoxy-phenoxym...)
Show SMILES CCCCCC(=O)c1ccc(OCc2cccc(NC(=O)CC(=O)OC)c2)cc1OC
Show InChI InChI=1S/C24H29NO6/c1-4-5-6-10-21(26)20-12-11-19(14-22(20)29-2)31-16-17-8-7-9-18(13-17)25-23(27)15-24(28)30-3/h7-9,11-14H,4-6,10,15-16H2,1-3H3,(H,25,27)
Affinity DataIC50: 2.73E+3nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019552(CHEMBL308573 | N-[3-(4-Hexanoyl-3-methoxy-phenoxym...)
Show SMILES CCCCCC(=O)c1ccc(OCc2cccc(NC(=O)CC(=O)OC)c2)cc1OC
Show InChI InChI=1S/C24H29NO6/c1-4-5-6-10-21(26)20-12-11-19(14-22(20)29-2)31-16-17-8-7-9-18(13-17)25-23(27)15-24(28)30-3/h7-9,11-14H,4-6,10,15-16H2,1-3H3,(H,25,27)
Affinity DataIC50: 3.14E+3nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019544(CHEMBL78007 | N-[3-(4-Hexanoyl-3-hydroxy-phenoxyme...)
Show SMILES CCCCCC(=O)c1ccc(OCc2cccc(NC(=O)CC(=O)OC)c2)cc1O
Show InChI InChI=1S/C23H27NO6/c1-3-4-5-9-20(25)19-11-10-18(13-21(19)26)30-15-16-7-6-8-17(12-16)24-22(27)14-23(28)29-2/h6-8,10-13,26H,3-5,9,14-15H2,1-2H3,(H,24,27)
Affinity DataIC50: 3.44E+3nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019548(CHEMBL75123 | N-[3-(4-Hexanoyl-3-methoxy-phenoxyme...)
Show SMILES CCCCCC(=O)c1ccc(OCc2cccc(NC(=O)CCC(=O)OC)c2)cc1OC
Show InChI InChI=1S/C25H31NO6/c1-4-5-6-10-22(27)21-12-11-20(16-23(21)30-2)32-17-18-8-7-9-19(15-18)26-24(28)13-14-25(29)31-3/h7-9,11-12,15-16H,4-6,10,13-14,17H2,1-3H3,(H,26,28)
Affinity DataIC50: 3.71E+3nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019548(CHEMBL75123 | N-[3-(4-Hexanoyl-3-methoxy-phenoxyme...)
Show SMILES CCCCCC(=O)c1ccc(OCc2cccc(NC(=O)CCC(=O)OC)c2)cc1OC
Show InChI InChI=1S/C25H31NO6/c1-4-5-6-10-22(27)21-12-11-20(16-23(21)30-2)32-17-18-8-7-9-19(15-18)26-24(28)13-14-25(29)31-3/h7-9,11-12,15-16H,4-6,10,13-14,17H2,1-3H3,(H,26,28)
Affinity DataIC50: 3.87E+3nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019544(CHEMBL78007 | N-[3-(4-Hexanoyl-3-hydroxy-phenoxyme...)
Show SMILES CCCCCC(=O)c1ccc(OCc2cccc(NC(=O)CC(=O)OC)c2)cc1O
Show InChI InChI=1S/C23H27NO6/c1-3-4-5-9-20(25)19-11-10-18(13-21(19)26)30-15-16-7-6-8-17(12-16)24-22(27)14-23(28)29-2/h6-8,10-13,26H,3-5,9,14-15H2,1-2H3,(H,24,27)
Affinity DataIC50: 4.14E+3nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019550(CHEMBL312747 | N-[3-(4-Ethyl-3-methoxy-phenoxymeth...)
Show SMILES CCc1ccc(OCc2cccc(NC(=O)CC(=O)OC)c2)cc1OC
Show InChI InChI=1S/C20H23NO5/c1-4-15-8-9-17(11-18(15)24-2)26-13-14-6-5-7-16(10-14)21-19(22)12-20(23)25-3/h5-11H,4,12-13H2,1-3H3,(H,21,22)
Affinity DataIC50: 4.54E+3nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019561(1-[3-(4-Acetyl-3-fluoro-phenoxymethyl)-phenyl]-5-o...)
Show SMILES COC(=O)C1CN(C(=O)C1)c1cccc(COc2ccc(C(C)=O)c(F)c2)c1
Show InChI InChI=1S/C21H20FNO5/c1-13(24)18-7-6-17(10-19(18)22)28-12-14-4-3-5-16(8-14)23-11-15(9-20(23)25)21(26)27-2/h3-8,10,15H,9,11-12H2,1-2H3
Affinity DataIC50: 5.35E+3nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019550(CHEMBL312747 | N-[3-(4-Ethyl-3-methoxy-phenoxymeth...)
Show SMILES CCc1ccc(OCc2cccc(NC(=O)CC(=O)OC)c2)cc1OC
Show InChI InChI=1S/C20H23NO5/c1-4-15-8-9-17(11-18(15)24-2)26-13-14-6-5-7-16(10-14)21-19(22)12-20(23)25-3/h5-11H,4,12-13H2,1-3H3,(H,21,22)
Affinity DataIC50: 5.50E+3nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019558(CHEMBL309048 | N-[3-(4-Ethyl-3-methoxy-phenoxymeth...)
Show SMILES CCc1ccc(OCc2cccc(NC(=O)CCC(=O)OC)c2)cc1OC
Show InChI InChI=1S/C21H25NO5/c1-4-16-8-9-18(13-19(16)25-2)27-14-15-6-5-7-17(12-15)22-20(23)10-11-21(24)26-3/h5-9,12-13H,4,10-11,14H2,1-3H3,(H,22,23)
Affinity DataIC50: 5.60E+3nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019558(CHEMBL309048 | N-[3-(4-Ethyl-3-methoxy-phenoxymeth...)
Show SMILES CCc1ccc(OCc2cccc(NC(=O)CCC(=O)OC)c2)cc1OC
Show InChI InChI=1S/C21H25NO5/c1-4-16-8-9-18(13-19(16)25-2)27-14-15-6-5-7-17(12-15)22-20(23)10-11-21(24)26-3/h5-9,12-13H,4,10-11,14H2,1-3H3,(H,22,23)
Affinity DataIC50: 7.09E+3nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019556(CHEMBL74615 | N-[2-(4-Acetyl-3-hydroxy-phenoxymeth...)
Show SMILES COC(=O)CC(=O)Nc1ccccc1COc1ccc(C(C)=O)c(O)c1
Show InChI InChI=1S/C19H19NO6/c1-12(21)15-8-7-14(9-17(15)22)26-11-13-5-3-4-6-16(13)20-18(23)10-19(24)25-2/h3-9,22H,10-11H2,1-2H3,(H,20,23)
Affinity DataIC50: 7.74E+3nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019551(CHEMBL306979 | N-[3-(4-Acetyl-3-hydroxy-phenoxymet...)
Show SMILES COC(=O)CC(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1
Show InChI InChI=1S/C19H19NO6/c1-12(21)16-7-6-15(9-17(16)22)26-11-13-4-3-5-14(8-13)20-18(23)10-19(24)25-2/h3-9,22H,10-11H2,1-2H3,(H,20,23)
Affinity DataIC50: 1.17E+4nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019565(CHEMBL307264 | N-[3-(4-Acetyl-3-methoxy-phenoxymet...)
Show SMILES COC(=O)CC(=O)Nc1cccc(COc2ccc(C(C)=O)c(OC)c2)c1
Show InChI InChI=1S/C20H21NO6/c1-13(22)17-8-7-16(10-18(17)25-2)27-12-14-5-4-6-15(9-14)21-19(23)11-20(24)26-3/h4-10H,11-12H2,1-3H3,(H,21,23)
Affinity DataIC50: 1.21E+4nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019551(CHEMBL306979 | N-[3-(4-Acetyl-3-hydroxy-phenoxymet...)
Show SMILES COC(=O)CC(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1
Show InChI InChI=1S/C19H19NO6/c1-12(21)16-7-6-15(9-17(16)22)26-11-13-4-3-5-14(8-13)20-18(23)10-19(24)25-2/h3-9,22H,10-11H2,1-2H3,(H,20,23)
Affinity DataIC50: 1.42E+4nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019565(CHEMBL307264 | N-[3-(4-Acetyl-3-methoxy-phenoxymet...)
Show SMILES COC(=O)CC(=O)Nc1cccc(COc2ccc(C(C)=O)c(OC)c2)c1
Show InChI InChI=1S/C20H21NO6/c1-13(22)17-8-7-16(10-18(17)25-2)27-12-14-5-4-6-15(9-14)21-19(23)11-20(24)26-3/h4-10H,11-12H2,1-3H3,(H,21,23)
Affinity DataIC50: 1.99E+4nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019561(1-[3-(4-Acetyl-3-fluoro-phenoxymethyl)-phenyl]-5-o...)
Show SMILES COC(=O)C1CN(C(=O)C1)c1cccc(COc2ccc(C(C)=O)c(F)c2)c1
Show InChI InChI=1S/C21H20FNO5/c1-13(24)18-7-6-17(10-19(18)22)28-12-14-4-3-5-16(8-14)23-11-15(9-20(23)25)21(26)27-2/h3-8,10,15H,9,11-12H2,1-2H3
Affinity DataIC50: 2.04E+4nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019555(CHEMBL77631 | N-[3-(4-Acetyl-3-hydroxy-phenoxymeth...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1
Show InChI InChI=1S/C20H21NO6/c1-13(22)17-7-6-16(11-18(17)23)27-12-14-4-3-5-15(10-14)21-19(24)8-9-20(25)26-2/h3-7,10-11,23H,8-9,12H2,1-2H3,(H,21,24)
Affinity DataIC50: 2.08E+4nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50006816((LY-171883)1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol...)
Show SMILES CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
Affinity DataIC50: 2.16E+4nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019547(CHEMBL77048 | N-[3-(4-Acetyl-3-fluoro-phenoxymethy...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(F)c2)c1
Show InChI InChI=1S/C20H20FNO5/c1-13(23)17-7-6-16(11-18(17)21)27-12-14-4-3-5-15(10-14)22-19(24)8-9-20(25)26-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,24)
Affinity DataIC50: 2.20E+4nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019563(CHEMBL78210 | N-[3-(4-Acetyl-3-fluoro-phenoxymethy...)
Show SMILES COC(=O)CC(=O)Nc1cccc(COc2ccc(C(C)=O)c(F)c2)c1
Show InChI InChI=1S/C19H18FNO5/c1-12(22)16-7-6-15(9-17(16)20)26-11-13-4-3-5-14(8-13)21-18(23)10-19(24)25-2/h3-9H,10-11H2,1-2H3,(H,21,23)
Affinity DataIC50: 2.25E+4nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019562(CHEMBL75830 | N-[3-(4-Acetyl-3-hydroxy-phenoxymeth...)
Show SMILES COC(=O)C(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1
Show InChI InChI=1S/C18H17NO6/c1-11(20)15-7-6-14(9-16(15)21)25-10-12-4-3-5-13(8-12)19-17(22)18(23)24-2/h3-9,21H,10H2,1-2H3,(H,19,22)
Affinity DataIC50: 2.51E+4nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019563(CHEMBL78210 | N-[3-(4-Acetyl-3-fluoro-phenoxymethy...)
Show SMILES COC(=O)CC(=O)Nc1cccc(COc2ccc(C(C)=O)c(F)c2)c1
Show InChI InChI=1S/C19H18FNO5/c1-12(22)16-7-6-15(9-17(16)20)26-11-13-4-3-5-14(8-13)21-18(23)10-19(24)25-2/h3-9H,10-11H2,1-2H3,(H,21,23)
Affinity DataIC50: 2.55E+4nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019555(CHEMBL77631 | N-[3-(4-Acetyl-3-hydroxy-phenoxymeth...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1
Show InChI InChI=1S/C20H21NO6/c1-13(22)17-7-6-16(11-18(17)23)27-12-14-4-3-5-15(10-14)21-19(24)8-9-20(25)26-2/h3-7,10-11,23H,8-9,12H2,1-2H3,(H,21,24)
Affinity DataIC50: 2.78E+4nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019554(CHEMBL74841 | N-[3-(4-Acetyl-3-fluoro-phenoxymethy...)
Show SMILES COC(=O)C(=O)Nc1cccc(COc2ccc(C(C)=O)c(F)c2)c1
Show InChI InChI=1S/C18H16FNO5/c1-11(21)15-7-6-14(9-16(15)19)25-10-12-4-3-5-13(8-12)20-17(22)18(23)24-2/h3-9H,10H2,1-2H3,(H,20,22)
Affinity DataIC50: 2.85E+4nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019553(4-[3-(4-Acetyl-3-hydroxy-phenoxymethyl)-phenylcarb...)
Show SMILES COC(=O)CCCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1
Show InChI InChI=1S/C21H23NO6/c1-14(23)18-10-9-17(12-19(18)24)28-13-15-5-3-6-16(11-15)22-20(25)7-4-8-21(26)27-2/h3,5-6,9-12,24H,4,7-8,13H2,1-2H3,(H,22,25)
Affinity DataIC50: 3.27E+4nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019549(CHEMBL77704 | N-[3-(4-Acetyl-3-methoxy-phenoxymeth...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(OC)c2)c1
Show InChI InChI=1S/C21H23NO6/c1-14(23)18-8-7-17(12-19(18)26-2)28-13-15-5-4-6-16(11-15)22-20(24)9-10-21(25)27-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,24)
Affinity DataIC50: 3.47E+4nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019549(CHEMBL77704 | N-[3-(4-Acetyl-3-methoxy-phenoxymeth...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(OC)c2)c1
Show InChI InChI=1S/C21H23NO6/c1-14(23)18-8-7-17(12-19(18)26-2)28-13-15-5-4-6-16(11-15)22-20(24)9-10-21(25)27-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,24)
Affinity DataIC50: 3.63E+4nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019545(4-[3-(4-Acetyl-3-fluoro-phenoxymethyl)-phenylcarba...)
Show SMILES COC(=O)CCCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(F)c2)c1
Show InChI InChI=1S/C21H22FNO5/c1-14(24)18-10-9-17(12-19(18)22)28-13-15-5-3-6-16(11-15)23-20(25)7-4-8-21(26)27-2/h3,5-6,9-12H,4,7-8,13H2,1-2H3,(H,23,25)
Affinity DataIC50: 3.86E+4nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019553(4-[3-(4-Acetyl-3-hydroxy-phenoxymethyl)-phenylcarb...)
Show SMILES COC(=O)CCCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1
Show InChI InChI=1S/C21H23NO6/c1-14(23)18-10-9-17(12-19(18)24)28-13-15-5-3-6-16(11-15)22-20(25)7-4-8-21(26)27-2/h3,5-6,9-12,24H,4,7-8,13H2,1-2H3,(H,22,25)
Affinity DataIC50: 3.93E+4nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019562(CHEMBL75830 | N-[3-(4-Acetyl-3-hydroxy-phenoxymeth...)
Show SMILES COC(=O)C(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1
Show InChI InChI=1S/C18H17NO6/c1-11(20)15-7-6-14(9-16(15)21)25-10-12-4-3-5-13(8-12)19-17(22)18(23)24-2/h3-9,21H,10H2,1-2H3,(H,19,22)
Affinity DataIC50: 3.95E+4nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50006816((LY-171883)1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol...)
Show SMILES CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
Affinity DataIC50: 4.10E+4nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019564(CHEMBL77668 | N-[3-(4-Acetyl-3-hydroxy-phenoxymeth...)
Show SMILES COC(=O)CC(=O)N(C)c1cccc(COc2ccc(C(C)=O)c(O)c2)c1
Show InChI InChI=1S/C20H21NO6/c1-13(22)17-8-7-16(10-18(17)23)27-12-14-5-4-6-15(9-14)21(2)19(24)11-20(25)26-3/h4-10,23H,11-12H2,1-3H3
Affinity DataIC50: 5.00E+4nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019545(4-[3-(4-Acetyl-3-fluoro-phenoxymethyl)-phenylcarba...)
Show SMILES COC(=O)CCCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(F)c2)c1
Show InChI InChI=1S/C21H22FNO5/c1-14(24)18-10-9-17(12-19(18)22)28-13-15-5-3-6-16(11-15)23-20(25)7-4-8-21(26)27-2/h3,5-6,9-12H,4,7-8,13H2,1-2H3,(H,23,25)
Affinity DataIC50: 6.21E+4nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019557(1-[3-(4-Acetyl-3-hydroxy-phenoxymethyl)-phenyl]-5-...)
Show SMILES COC(=O)C1CN(C(=O)C1)c1cccc(COc2ccc(C(C)=O)c(O)c2)c1
Show InChI InChI=1S/C21H21NO6/c1-13(23)18-7-6-17(10-19(18)24)28-12-14-4-3-5-16(8-14)22-11-15(9-20(22)25)21(26)27-2/h3-8,10,15,24H,9,11-12H2,1-2H3
Affinity DataIC50: 7.00E+4nMAssay Description:In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50019557(1-[3-(4-Acetyl-3-hydroxy-phenoxymethyl)-phenyl]-5-...)
Show SMILES COC(=O)C1CN(C(=O)C1)c1cccc(COc2ccc(C(C)=O)c(O)c2)c1
Show InChI InChI=1S/C21H21NO6/c1-13(23)18-7-6-17(10-19(18)24)28-12-14-4-3-5-16(8-14)22-11-15(9-20(22)25)21(26)27-2/h3-8,10,15,24H,9,11-12H2,1-2H3
Affinity DataIC50: 7.60E+4nMAssay Description:In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)More data for this Ligand-Target Pair