Compile Data Set for Download or QSAR
Found 6091 Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase'
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50446681(CHEMBL3113617)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(O)=O)c2ccccc12
Show InChI InChI=1S/C19H16N2O6S/c1-12-6-8-13(9-7-12)28(26,27)21-11-15(14-4-2-3-5-16(14)21)18(24)19(25)20-10-17(22)23/h2-9,11H,10H2,1H3,(H,20,25)(H,22,23)
Affinity DataKi:  8.40nMAssay Description:Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometryMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50446686(CHEMBL3113612)
Show SMILES COC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H18N2O6S/c1-13-7-9-14(10-8-13)29(26,27)22-12-16(15-5-3-4-6-17(15)22)19(24)20(25)21-11-18(23)28-2/h3-10,12H,11H2,1-2H3,(H,21,25)
Affinity DataKi:  9.5nMAssay Description:Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometryMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50446680(CHEMBL3113618)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12
Show InChI InChI=1S/C28H23N3O6S/c1-17-10-12-19(13-11-17)38(36,37)31-16-22(21-7-3-5-9-25(21)31)26(32)27(33)30-24(28(34)35)14-18-15-29-23-8-4-2-6-20(18)23/h2-13,15-16,24,29H,14H2,1H3,(H,30,33)(H,34,35)/t24-/m1/s1
Affinity DataKi:  9.90nMAssay Description:Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometryMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50446685(CHEMBL3113613)
Show SMILES COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C29H25N3O6S/c1-18-11-13-20(14-12-18)39(36,37)32-17-23(22-8-4-6-10-26(22)32)27(33)28(34)31-25(29(35)38-2)15-19-16-30-24-9-5-3-7-21(19)24/h3-14,16-17,25,30H,15H2,1-2H3,(H,31,34)/t25-/m1/s1
Affinity DataKi:  37nMAssay Description:Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometryMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50446678(CHEMBL3113620)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](CCC(O)=O)C(O)=O)c2ccccc12
Show InChI InChI=1S/C22H20N2O8S/c1-13-6-8-14(9-7-13)33(31,32)24-12-16(15-4-2-3-5-18(15)24)20(27)21(28)23-17(22(29)30)10-11-19(25)26/h2-9,12,17H,10-11H2,1H3,(H,23,28)(H,25,26)(H,29,30)/t17-/m1/s1
Affinity DataKi:  95nMAssay Description:Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometryMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50006819(2-(4-Benzyloxy-phenyl)-N-hydroxy-N-phenethyl-aceta...)
Show SMILES ON(CCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H23NO3/c25-23(24(26)16-15-19-7-3-1-4-8-19)17-20-11-13-22(14-12-20)27-18-21-9-5-2-6-10-21/h1-14,26H,15-18H2
Affinity DataKi:  100nMAssay Description:Invitro inhibitory activity against polymorphonuclear leukocyte 5-lipoxygenase in human cellMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50446682(CHEMBL3113616)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H22N2O6S/c1-15-9-11-16(12-10-15)32(29,30)25-14-18(17-6-3-4-7-19(17)25)21(26)22(27)24-13-5-8-20(24)23(28)31-2/h3-4,6-7,9-12,14,20H,5,8,13H2,1-2H3/t20-/m1/s1
Affinity DataKi:  320nMAssay Description:Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometryMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50446677(CHEMBL3113621)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N2CCC[C@@H]2C(O)=O)c2ccccc12
Show InChI InChI=1S/C22H20N2O6S/c1-14-8-10-15(11-9-14)31(29,30)24-13-17(16-5-2-3-6-18(16)24)20(25)21(26)23-12-4-7-19(23)22(27)28/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3,(H,27,28)/t19-/m1/s1
Affinity DataKi:  510nMAssay Description:Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometryMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM50016673(CHEMBL52896 | N-Hydroxy-N-methyl-2-[4-(quinolin-2-...)
Show SMILES CN(O)C(=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C19H18N2O3/c1-21(23)19(22)12-14-6-10-17(11-7-14)24-13-16-9-8-15-4-2-3-5-18(15)20-16/h2-11,23H,12-13H2,1H3
Affinity DataKi:  800nMAssay Description:Invitro inhibitory activity against polymorphonuclear leukocyte 5-lipoxygenaseMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50446683(CHEMBL3113615)
Show SMILES COC(=O)CC[C@@H](NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1)C(=O)OC
Show InChI InChI=1S/C24H24N2O8S/c1-15-8-10-16(11-9-15)35(31,32)26-14-18(17-6-4-5-7-20(17)26)22(28)23(29)25-19(24(30)34-3)12-13-21(27)33-2/h4-11,14,19H,12-13H2,1-3H3,(H,25,29)/t19-/m1/s1
Affinity DataKi:  820nMAssay Description:Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometryMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50446679(CHEMBL3113619)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](Cc2cnc[nH]2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C23H20N4O6S/c1-14-6-8-16(9-7-14)34(32,33)27-12-18(17-4-2-3-5-20(17)27)21(28)22(29)26-19(23(30)31)10-15-11-24-13-25-15/h2-9,11-13,19H,10H2,1H3,(H,24,25)(H,26,29)(H,30,31)/t19-/m1/s1
Affinity DataKi:  2.53E+3nMAssay Description:Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometryMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50446684(CHEMBL3113614)
Show SMILES COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H22N4O6S/c1-15-7-9-17(10-8-15)35(32,33)28-13-19(18-5-3-4-6-21(18)28)22(29)23(30)27-20(24(31)34-2)11-16-12-25-14-26-16/h3-10,12-14,20H,11H2,1-2H3,(H,25,26)(H,27,30)/t20-/m1/s1
Affinity DataKi:  4.16E+3nMAssay Description:Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometryMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM86693(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM86691(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM86692(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50444319(CHEMBL3094153)
Show SMILES CC(C)CCCC(C)CCOc1ccc(COc2cccc(O)c2C([O-])=O)cc1
Show InChI InChI=1S/C24H32O5/c1-17(2)6-4-7-18(3)14-15-28-20-12-10-19(11-13-20)16-29-22-9-5-8-21(25)23(22)24(26)27/h5,8-13,17-18,25H,4,6-7,14-16H2,1-3H3,(H,26,27)/p-1
Affinity DataKi:  7.03E+4nMAssay Description:Binding affinity to human 5-LOX using linoleic acid as substrateMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50444319(CHEMBL3094153)
Show SMILES CC(C)CCCC(C)CCOc1ccc(COc2cccc(O)c2C([O-])=O)cc1
Show InChI InChI=1S/C24H32O5/c1-17(2)6-4-7-18(3)14-15-28-20-12-10-19(11-13-20)16-29-22-9-5-8-21(25)23(22)24(26)27/h5,8-13,17-18,25H,4,6-7,14-16H2,1-3H3,(H,26,27)/p-1
Affinity DataKi:  1.40E+5nMAssay Description:Binding affinity to human 5-LOX-linoleic acid complexMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50182306(7-(3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypro...)
Show SMILES OC(c1cc(F)cc(Sc2ccc3c(cc(=O)oc3c2)-c2ccccc2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H13F7O3S/c25-15-8-14(22(33,23(26,27)28)24(29,30)31)9-17(10-15)35-16-6-7-18-19(13-4-2-1-3-5-13)12-21(32)34-20(18)11-16/h1-12,33H
Affinity DataIC50: 0.5nMAssay Description:Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyteMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50182303(6-(3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypro...)
Show SMILES OC(c1cc(F)cc(Sc2ccc3oc(=O)cc(-c4ccc(F)cc4)c3c2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H12F8O3S/c25-14-3-1-12(2-4-14)18-11-21(33)35-20-6-5-16(10-19(18)20)36-17-8-13(7-15(26)9-17)22(34,23(27,28)29)24(30,31)32/h1-11,34H
Affinity DataIC50: 0.5nMAssay Description:Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyteMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Mus musculus)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50043670(2-{(S)-1-[3-Fluoro-5-(naphthalen-2-ylmethoxy)-phen...)
Show SMILES CC[C@@](OC)(c1nccs1)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C24H22FNO2S/c1-3-24(27-2,23-26-10-11-29-23)20-13-21(25)15-22(14-20)28-16-17-8-9-18-6-4-5-7-19(18)12-17/h4-15H,3,16H2,1-2H3/t24-/m0/s1
Affinity DataIC50: 0.700nMAssay Description:Inhibition of 5-lipoxygenase from mouse macrophageMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50182308(7-(3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypro...)
Show SMILES OC(c1cc(F)cc(Sc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H11F7O4S/c23-13-5-12(20(31,21(24,25)26)22(27,28)29)6-15(7-13)34-14-1-2-16-17(11-3-4-32-10-11)9-19(30)33-18(16)8-14/h1-10,31H
Affinity DataIC50: 0.800nMAssay Description:Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyteMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50182304(7-((3-fluoro-5-(3-hydroxypentan-3-yl)phenoxy)methy...)
Show SMILES CCC(O)(CC)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1
Show InChI InChI=1S/C25H23FO5/c1-3-25(28,4-2)18-10-19(26)12-20(11-18)30-14-16-5-6-21-22(17-7-8-29-15-17)13-24(27)31-23(21)9-16/h5-13,15,28H,3-4,14H2,1-2H3
Affinity DataIC50: 0.900nMAssay Description:Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyteMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Mus musculus)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50043682((R)-2-[3-Fluoro-5-(naphthalen-2-ylmethoxy)-phenyl]...)
Show SMILES CC[C@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H23FO4/c1-4-23(27-3,22(25)26-2)19-12-20(24)14-21(13-19)28-15-16-9-10-17-7-5-6-8-18(17)11-16/h5-14H,4,15H2,1-3H3/t23-/m1/s1
Affinity DataIC50: 1.30nMAssay Description:Inhibition of 5-lipoxygenase from mouse macrophageMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM50406364(CHEMBL173711)
Show SMILES CC(C)Cc1ccc(cc1)C(Cc1ccccc1)C(=O)N(C)O
Show InChI InChI=1S/C20H25NO2/c1-15(2)13-17-9-11-18(12-10-17)19(20(22)21(3)23)14-16-7-5-4-6-8-16/h4-12,15,19,23H,13-14H2,1-3H3
Affinity DataIC50: 1.5nMAssay Description:In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells(RBL-1)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

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: 1.60nMAssay Description:Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate after 5 mins by EIAMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM50406363(CHEMBL69795)
Show SMILES CC(C)Cc1ccc(cc1)C(C(C)C)C(=O)N(C)O
Show InChI InChI=1S/C16H25NO2/c1-11(2)10-13-6-8-14(9-7-13)15(12(3)4)16(18)17(5)19/h6-9,11-12,15,19H,10H2,1-5H3
Affinity DataIC50: 1.60nMAssay Description:Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat basophilic leukemia cells (RBL-1)More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Mus musculus)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50043669(6-[3-Fluoro-5-((S)-1-methoxy-1-thiazol-2-yl-propyl...)
Show SMILES CC[C@@](OC)(c1nccs1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C24H23FN2O3S/c1-4-24(29-3,23-26-9-10-31-23)18-12-19(25)14-20(13-18)30-15-16-5-7-21-17(11-16)6-8-22(28)27(21)2/h5-14H,4,15H2,1-3H3/t24-/m0/s1
Affinity DataIC50: 1.60nMAssay Description:Inhibition of 5-lipoxygenase from mouse macrophageMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50182302(7-((3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypr...)
Show SMILES OC(c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H14F8O4/c26-16-4-2-14(3-5-16)20-11-22(34)37-21-7-13(1-6-19(20)21)12-36-18-9-15(8-17(27)10-18)23(35,24(28,29)30)25(31,32)33/h1-11,35H,12H2
Affinity DataIC50: 1.90nMAssay Description:Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyteMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50182300(7-((3-fluoro-5-((1S,3S,5R)-3-hydroxy-6,8-dioxa-bic...)
Show SMILES O[C@]1(C[C@H]2CO[C@@H](C1)O2)c1cc(F)cc(OCc2ccc3c(cc(nc3c2)C#N)-c2ccoc2)c1
Show InChI InChI=1S/C27H21FN2O5/c28-19-6-18(27(31)10-22-15-34-26(11-27)35-22)7-21(8-19)33-13-16-1-2-23-24(17-3-4-32-14-17)9-20(12-29)30-25(23)5-16/h1-9,14,22,26,31H,10-11,13,15H2/t22?,26?,27-/m0/s1
Affinity DataIC50: 2.30nMAssay Description:Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyteMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM50042977(1-(2,5-Diethoxy-phenyl)-3-(3,4-dihydroxy-phenyl)-p...)
Show SMILES CCOc1ccc(OCC)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H20O5/c1-3-23-14-7-10-19(24-4-2)15(12-14)16(20)8-5-13-6-9-17(21)18(22)11-13/h5-12,21-22H,3-4H2,1-2H3/b8-5+
Affinity DataIC50: 2.40nMAssay Description:In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determinedMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50182305(7-((3-fluoro-5-(1-hydroxy-1-(thiazol-2-yl)propyl)p...)
Show SMILES CCC(O)(c1nccs1)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C28H21F2NO4S/c1-2-28(33,27-31-9-10-36-27)19-12-21(30)14-22(13-19)34-16-17-3-8-23-24(15-26(32)35-25(23)11-17)18-4-6-20(29)7-5-18/h3-15,33H,2,16H2,1H3
Affinity DataIC50: 2.70nMAssay Description:Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyteMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50045643(3-[1-(4-Chloro-benzyl)-4-methyl-6-(quinolin-2-ylme...)
Show SMILES CC1Cc2c(OCc3ccc4ccccc4n3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1)c23
Show InChI InChI=1S/C33H31ClN2O3S/c1-20-16-25-29(39-19-24-13-10-22-6-4-5-7-26(22)35-24)15-14-27-30(25)31(40-20)28(17-33(2,3)32(37)38)36(27)18-21-8-11-23(34)12-9-21/h4-15,20H,16-19H2,1-3H3,(H,37,38)
Affinity DataIC50: 3nMAssay Description:In vitro inhibition of LTB4 biosynthesis in [Ca2+]-ionophore-activated human polymorphonuclear leukocytesMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50045673(1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...)
Show SMILES CC1Cc2c(CCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
Show InChI InChI=1S/C37H37ClN6S/c1-24-19-31-27(11-16-30-17-12-28(22-39-30)26-7-5-4-6-8-26)13-18-32-35(31)36(45-24)33(20-37(2,3)21-34-40-42-43-41-34)44(32)23-25-9-14-29(38)15-10-25/h4-10,12-15,17-18,22,24H,11,16,19-21,23H2,1-3H3,(H,40,41,42,43)
Affinity DataIC50: 3nMAssay Description:In vitro inhibition of LTB4 biosynthesis in [Ca2+]-ionophore-activated human polymorphonuclear leukocytesMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50110484(3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3
Affinity DataIC50: 3nMAssay Description:The compound was evaluated for its inhibitory activity against 5-lipoxygenase using granulocytes-type cellsMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50110484(3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3
Affinity DataIC50: 3nMAssay Description:Inhibition constant against arachidonate 5-lipoxygenase More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50182307(7-((3-fluoro-5-((1S,3S,5R)-3-hydroxy-6,8-dioxa-bic...)
Show SMILES O[C@]1(C[C@H]2CO[C@@H](C1)O2)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1
Show InChI InChI=1S/C26H21FO7/c27-18-6-17(26(29)10-20-14-32-25(11-26)33-20)7-19(8-18)31-12-15-1-2-21-22(16-3-4-30-13-16)9-24(28)34-23(21)5-15/h1-9,13,20,25,29H,10-12,14H2/t20?,25?,26-/m0/s1
Affinity DataIC50: 3nMAssay Description:Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyteMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50182299(7-((3-fluoro-5-(1-hydroxy-1-(pyridin-2-yl)propyl)p...)
Show SMILES CCC(O)(c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1)c1ccccn1
Show InChI InChI=1S/C28H22FNO5/c1-2-28(32,26-5-3-4-9-30-26)20-12-21(29)14-22(13-20)34-16-18-6-7-23-24(19-8-10-33-17-19)15-27(31)35-25(23)11-18/h3-15,17,32H,2,16H2,1H3
Affinity DataIC50: 3.70nMAssay Description:Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyteMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50182298(7-((3-fluoro-5-((1S,3S,5R)-3-hydroxy-6,8-dioxa-bic...)
Show SMILES O[C@]1(C[C@H]2CO[C@@H](C1)O2)c1cc(F)cc(OCc2ccc3c(cc(=O)oc3c2)-c2ccccc2)c1
Show InChI InChI=1S/C28H23FO6/c29-20-9-19(28(31)13-22-16-33-27(14-28)34-22)10-21(11-20)32-15-17-6-7-23-24(18-4-2-1-3-5-18)12-26(30)35-25(23)8-17/h1-12,22,27,31H,13-16H2/t22?,27?,28-/m0/s1
Affinity DataIC50: 3.70nMAssay Description:Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyteMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM50042951(3-(3,4-Dihydroxy-phenyl)-1-(5-ethoxy-2-methoxy-phe...)
Show SMILES CCOc1ccc(OC)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H18O5/c1-3-23-13-6-9-18(22-2)14(11-13)15(19)7-4-12-5-8-16(20)17(21)10-12/h4-11,20-21H,3H2,1-2H3/b7-4+
Affinity DataIC50: 3.80nMAssay Description:In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determinedMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM323045((1R,2R)-N-(2-Methyl-4-oxo-4,5,6,7- tetrahydropyraz...)
Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1c(C)nn2CCNC(=O)c12
Affinity DataIC50: 3.90nMAssay Description:Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM50042962((E)-3-(3,4-Dihydroxy-phenyl)-1-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-1+
Affinity DataIC50: 4nMAssay Description:In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determinedMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM50042981(3-(3,4-Dihydroxy-phenyl)-1-(2-hydroxy-5-isopropyl-...)
Show SMILES CC(C)c1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H18O4/c1-11(2)13-5-8-16(20)14(10-13)15(19)6-3-12-4-7-17(21)18(22)9-12/h3-11,20-22H,1-2H3/b6-3+
Affinity DataIC50: 4nMAssay Description:In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determinedMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM50042962((E)-3-(3,4-Dihydroxy-phenyl)-1-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-1+
Affinity DataIC50: 4nMAssay Description:Inhibition of 5-lipoxygenase in rat RBL1 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50004424(CHEMBL3238463)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C17H11N3O5/c21-17(12-8-13(19(22)23)10-14(9-12)20(24)25)18-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H,(H,18,21)
Affinity DataIC50: 4nMAssay Description:Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM50042979(3-(3,4-Dihydroxy-phenyl)-1-(3-hydroxy-phenyl)-prop...)
Show SMILES Oc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-3-1-2-11(9-12)13(17)6-4-10-5-7-14(18)15(19)8-10/h1-9,16,18-19H/b6-4+
Affinity DataIC50: 4.20nMAssay Description:In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determinedMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM50042979(3-(3,4-Dihydroxy-phenyl)-1-(3-hydroxy-phenyl)-prop...)
Show SMILES Oc1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-12-3-1-2-11(9-12)13(17)6-4-10-5-7-14(18)15(19)8-10/h1-9,16,18-19H/b6-4+
Affinity DataIC50: 4.20nMAssay Description:Inhibition of 5-lipoxygenase in rat RBL1 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50182301(4-(4-chlorophenyl)-7-(3-fluoro-5-(1,1,1,3,3,3-hexa...)
Show SMILES OC(c1cc(F)cc(Sc2ccc3c(cc(=O)oc3c2)-c2ccc(Cl)cc2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H12ClF7O3S/c25-14-3-1-12(2-4-14)19-11-21(33)35-20-10-16(5-6-18(19)20)36-17-8-13(7-15(26)9-17)22(34,23(27,28)29)24(30,31)32/h1-11,34H
Affinity DataIC50: 4.30nMAssay Description:Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyteMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM50406422(CHEMBL2115381)
Show SMILES CCCCCCCCCCCCCCCCCCOC1C(=O)O[C@H](C(O)CO)C1=O
Show InChI InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23-21(27)22(20(26)19-25)30-24(23)28/h20,22-23,25-26H,2-19H2,1H3/t20?,22-,23?/m1/s1
Affinity DataIC50: 4.30nMAssay Description:Reduction of lipid peroxide formed in rat brain homogenates.More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM50042949((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
Affinity DataIC50: 4.60nMAssay Description:Inhibition of 5-lipoxygenase in rat RBL1 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM50042949((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
Affinity DataIC50: 4.60nMAssay Description:In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determinedMore data for this Ligand-Target Pair
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