Compile Data Set for Download or QSAR
Found 124 Enz. Inhib. hit(s) with all data for entry = 50045439
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50396066(CHEMBL1819479)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C29H26F6O4/c1-2-3-4-21(27(36)37)15-22-16-25(38-17-19-5-9-23(10-6-19)28(30,31)32)13-14-26(22)39-18-20-7-11-24(12-8-20)29(33,34)35/h5-16H,2-4,17-18H2,1H3,(H,36,37)/b21-15+
Affinity DataIC50: 200nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062724(CHEMBL3397723)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(Oc3ccccn3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C33H30F3NO5/c1-2-3-6-25(32(38)39)19-26-20-29(16-17-30(26)41-22-23-8-12-27(13-9-23)33(34,35)36)40-21-24-10-14-28(15-11-24)42-31-7-4-5-18-37-31/h4-5,7-20H,2-3,6,21-22H2,1H3,(H,38,39)/b25-19+
Affinity DataIC50: 200nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062727(CHEMBL3397721)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C33H29F6NO5/c1-3-4-5-22(31(41)42)15-23-16-25(11-13-28(23)45-18-20-6-9-24(10-7-20)32(34,35)36)44-19-21-8-12-27-26(14-21)29(43-2)17-30(40-27)33(37,38)39/h6-17H,3-5,18-19H2,1-2H3,(H,41,42)/b22-15+
Affinity DataIC50: 200nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062722(CHEMBL3397726)
Show SMILES CCCC\C(=C/c1cc(OCC(c2ccccc2)c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C35H33F3O4/c1-2-3-10-28(34(39)40)21-29-22-31(19-20-33(29)42-23-25-15-17-30(18-16-25)35(36,37)38)41-24-32(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-22,32H,2-3,10,23-24H2,1H3,(H,39,40)/b28-21+
Affinity DataIC50: 250nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062730(CHEMBL3397716)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C28H25Cl2F3O4/c1-2-3-4-20(27(34)35)14-21-15-23(36-17-19-7-11-24(29)25(30)13-19)10-12-26(21)37-16-18-5-8-22(9-6-18)28(31,32)33/h5-15H,2-4,16-17H2,1H3,(H,34,35)/b20-14+
Affinity DataIC50: 300nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062731(CHEMBL3397717)
Show SMILES CCCC\C(=C/c1cc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C30H25F9O4/c1-2-3-4-20(27(40)41)13-21-14-25(9-10-26(21)43-16-18-5-7-22(8-6-18)28(31,32)33)42-17-19-11-23(29(34,35)36)15-24(12-19)30(37,38)39/h5-15H,2-4,16-17H2,1H3,(H,40,41)/b20-13+
Affinity DataIC50: 300nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062723(CHEMBL3397728)
Show SMILES CCCC\C(=C/c1cc(OCCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C30H28F6O4/c1-2-3-4-22(28(37)38)17-23-18-26(39-16-15-20-5-9-24(10-6-20)29(31,32)33)13-14-27(23)40-19-21-7-11-25(12-8-21)30(34,35)36/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,37,38)/b22-17+
Affinity DataIC50: 500nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062729(CHEMBL3397715)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(F)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C28H26F4O4/c1-2-3-4-21(27(33)34)15-22-16-25(35-17-20-7-11-24(29)12-8-20)13-14-26(22)36-18-19-5-9-23(10-6-19)28(30,31)32/h5-16H,2-4,17-18H2,1H3,(H,33,34)/b21-15+
Affinity DataIC50: 500nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062621(CHEMBL3397710)
Show SMILES CCCC\C(=C/c1cc(OCc2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C28H27F3O4/c1-2-3-9-22(27(32)33)16-23-17-25(34-18-20-7-5-4-6-8-20)14-15-26(23)35-19-21-10-12-24(13-11-21)28(29,30)31/h4-8,10-17H,2-3,9,18-19H2,1H3,(H,32,33)/b22-16+
Affinity DataIC50: 550nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273683(2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic aci...)
Show SMILES CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C26H30N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h4-13,19,22H,2-3,14-18H2,1H3,(H,29,30)
Affinity DataIC50: 600nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062727(CHEMBL3397721)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C33H29F6NO5/c1-3-4-5-22(31(41)42)15-23-16-25(11-13-28(23)45-18-20-6-9-24(10-7-20)32(34,35)36)44-19-21-8-12-27-26(14-21)29(43-2)17-30(40-27)33(37,38)39/h6-17H,3-5,18-19H2,1-2H3,(H,41,42)/b22-15+
Affinity DataIC50: 630nMAssay Description:Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062733(CHEMBL3397719)
Show SMILES CCCC\C(=C/c1cc(OCc2cc3ccccc3s2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C30H27F3O4S/c1-2-3-6-22(29(34)35)15-23-16-25(36-19-26-17-21-7-4-5-8-28(21)38-26)13-14-27(23)37-18-20-9-11-24(12-10-20)30(31,32)33/h4-5,7-17H,2-3,6,18-19H2,1H3,(H,34,35)/b22-15+
Affinity DataIC50: 700nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062718(CHEMBL3397711)
Show SMILES CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C30H29F3O4/c1-2-3-11-24(29(34)35)19-25-20-27(36-18-7-10-22-8-5-4-6-9-22)16-17-28(25)37-21-23-12-14-26(15-13-23)30(31,32)33/h4-10,12-17,19-20H,2-3,11,18,21H2,1H3,(H,34,35)/b10-7+,24-19+
Affinity DataIC50: 750nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062731(CHEMBL3397717)
Show SMILES CCCC\C(=C/c1cc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C30H25F9O4/c1-2-3-4-20(27(40)41)13-21-14-25(9-10-26(21)43-16-18-5-7-22(8-6-18)28(31,32)33)42-17-19-11-23(29(34,35)36)15-24(12-19)30(37,38)39/h5-15H,2-4,16-17H2,1H3,(H,40,41)/b20-13+
Affinity DataIC50: 790nMAssay Description:Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322460(2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...)
Show SMILES CCCCC(Sc1nc(OCCC2CCCCC2)cc(OCCC2CCCCC2)n1)C(O)=O
Show InChI InChI=1S/C26H42N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h19-22H,2-18H2,1H3,(H,29,30)
Affinity DataIC50: 800nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062728(CHEMBL3397720)
Show SMILES CCCC\C(=C/c1cc(OCc2csc(n2)-c2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C32H27F6NO4S/c1-2-3-4-22(30(40)41)15-23-16-27(13-14-28(23)43-17-20-5-9-24(10-6-20)31(33,34)35)42-18-26-19-44-29(39-26)21-7-11-25(12-8-21)32(36,37)38/h5-16,19H,2-4,17-18H2,1H3,(H,40,41)/b22-15+
Affinity DataIC50: 900nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062721(CHEMBL3397724)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(OCCN3CCOCC3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C34H38F3NO6/c1-2-3-4-27(33(39)40)21-28-22-31(13-14-32(28)44-24-25-5-9-29(10-6-25)34(35,36)37)43-23-26-7-11-30(12-8-26)42-20-17-38-15-18-41-19-16-38/h5-14,21-22H,2-4,15-20,23-24H2,1H3,(H,39,40)/b27-21+
Affinity DataIC50: 900nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062726(CHEMBL3397727)
Show SMILES CCCC\C(=C/c1cc(OCC2CCC(CC2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C29H32F6O4/c1-2-3-4-21(27(36)37)15-22-16-25(38-17-19-5-9-23(10-6-19)28(30,31)32)13-14-26(22)39-18-20-7-11-24(12-8-20)29(33,34)35/h7-8,11-16,19,23H,2-6,9-10,17-18H2,1H3,(H,36,37)/b21-15+
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50396066(CHEMBL1819479)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C29H26F6O4/c1-2-3-4-21(27(36)37)15-22-16-25(38-17-19-5-9-23(10-6-19)28(30,31)32)13-14-26(22)39-18-20-7-11-24(12-8-20)29(33,34)35/h5-16H,2-4,17-18H2,1H3,(H,36,37)/b21-15+
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062723(CHEMBL3397728)
Show SMILES CCCC\C(=C/c1cc(OCCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C30H28F6O4/c1-2-3-4-22(28(37)38)17-23-18-26(39-16-15-20-5-9-24(10-6-20)29(31,32)33)13-14-27(23)40-19-21-7-11-25(12-8-21)30(34,35)36/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,37,38)/b22-17+
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...More data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062730(CHEMBL3397716)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C28H25Cl2F3O4/c1-2-3-4-20(27(34)35)14-21-15-23(36-17-19-7-11-24(29)25(30)13-19)10-12-26(21)37-16-18-5-8-22(9-6-18)28(31,32)33/h5-15H,2-4,16-17H2,1H3,(H,34,35)/b20-14+
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062726(CHEMBL3397727)
Show SMILES CCCC\C(=C/c1cc(OCC2CCC(CC2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C29H32F6O4/c1-2-3-4-21(27(36)37)15-22-16-25(38-17-19-5-9-23(10-6-19)28(30,31)32)13-14-26(22)39-18-20-7-11-24(12-8-20)29(33,34)35/h7-8,11-16,19,23H,2-6,9-10,17-18H2,1H3,(H,36,37)/b21-15+
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062730(CHEMBL3397716)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C28H25Cl2F3O4/c1-2-3-4-20(27(34)35)14-21-15-23(36-17-19-7-11-24(29)25(30)13-19)10-12-26(21)37-16-18-5-8-22(9-6-18)28(31,32)33/h5-15H,2-4,16-17H2,1H3,(H,34,35)/b20-14+
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062719(CHEMBL3397709)
Show SMILES CCCC\C(=C/c1cc(Oc2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C27H25F3O4/c1-2-3-7-20(26(31)32)16-21-17-24(34-23-8-5-4-6-9-23)14-15-25(21)33-18-19-10-12-22(13-11-19)27(28,29)30/h4-6,8-17H,2-3,7,18H2,1H3,(H,31,32)/b20-16+
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062721(CHEMBL3397724)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(OCCN3CCOCC3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C34H38F3NO6/c1-2-3-4-27(33(39)40)21-28-22-31(13-14-32(28)44-24-25-5-9-29(10-6-25)34(35,36)37)43-23-26-7-11-30(12-8-26)42-20-17-38-15-18-41-19-16-38/h5-14,21-22H,2-4,15-20,23-24H2,1H3,(H,39,40)/b27-21+
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062728(CHEMBL3397720)
Show SMILES CCCC\C(=C/c1cc(OCc2csc(n2)-c2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C32H27F6NO4S/c1-2-3-4-22(30(40)41)15-23-16-27(13-14-28(23)43-17-20-5-9-24(10-6-20)31(33,34)35)42-18-26-19-44-29(39-26)21-7-11-25(12-8-21)32(36,37)38/h5-16,19H,2-4,17-18H2,1H3,(H,40,41)/b22-15+
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062732(CHEMBL3397718)
Show SMILES CCCC\C(=C/c1cc(OCc2cccnc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C27H26F3NO4/c1-2-3-6-21(26(32)33)14-22-15-24(34-18-20-5-4-13-31-16-20)11-12-25(22)35-17-19-7-9-23(10-8-19)27(28,29)30/h4-5,7-16H,2-3,6,17-18H2,1H3,(H,32,33)/b21-14+
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062737(CHEMBL3397729)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(c(SC(C)(C)C)c2c1)C(C)(C)C(O)=O
Show InChI InChI=1S/C26H32ClNO2S/c1-16(2)18-10-13-21-20(14-18)22(31-25(3,4)5)23(26(6,7)24(29)30)28(21)15-17-8-11-19(27)12-9-17/h8-14,16H,15H2,1-7H3,(H,29,30)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...More data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062726(CHEMBL3397727)
Show SMILES CCCC\C(=C/c1cc(OCC2CCC(CC2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C29H32F6O4/c1-2-3-4-21(27(36)37)15-22-16-25(38-17-19-5-9-23(10-6-19)28(30,31)32)13-14-26(22)39-18-20-7-11-24(12-8-20)29(33,34)35/h7-8,11-16,19,23H,2-6,9-10,17-18H2,1H3,(H,36,37)/b21-15+
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...More data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062727(CHEMBL3397721)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C33H29F6NO5/c1-3-4-5-22(31(41)42)15-23-16-25(11-13-28(23)45-18-20-6-9-24(10-7-20)32(34,35)36)44-19-21-8-12-27-26(14-21)29(43-2)17-30(40-27)33(37,38)39/h6-17H,3-5,18-19H2,1-2H3,(H,41,42)/b22-15+
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...More data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062723(CHEMBL3397728)
Show SMILES CCCC\C(=C/c1cc(OCCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C30H28F6O4/c1-2-3-4-22(28(37)38)17-23-18-26(39-16-15-20-5-9-24(10-6-20)29(31,32)33)13-14-27(23)40-19-21-7-11-25(12-8-21)30(34,35)36/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,37,38)/b22-17+
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062718(CHEMBL3397711)
Show SMILES CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C30H29F3O4/c1-2-3-11-24(29(34)35)19-25-20-27(36-18-7-10-22-8-5-4-6-9-22)16-17-28(25)37-21-23-12-14-26(15-13-23)30(31,32)33/h4-10,12-17,19-20H,2-3,11,18,21H2,1H3,(H,34,35)/b10-7+,24-19+
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062733(CHEMBL3397719)
Show SMILES CCCC\C(=C/c1cc(OCc2cc3ccccc3s2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C30H27F3O4S/c1-2-3-6-22(29(34)35)15-23-16-25(36-19-26-17-21-7-4-5-8-28(21)38-26)13-14-27(23)37-18-20-9-11-24(12-10-20)30(31,32)33/h4-5,7-17H,2-3,6,18-19H2,1H3,(H,34,35)/b22-15+
Affinity DataIC50: 4.60E+3nMAssay Description:Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062736(CHEMBL3397712)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(CCCC)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C32H35F3O4/c1-3-5-7-23-9-11-24(12-10-23)21-38-29-17-18-30(27(20-29)19-26(31(36)37)8-6-4-2)39-22-25-13-15-28(16-14-25)32(33,34)35/h9-20H,3-8,21-22H2,1-2H3,(H,36,37)/b26-19+
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...More data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062729(CHEMBL3397715)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(F)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C28H26F4O4/c1-2-3-4-21(27(33)34)15-22-16-25(35-17-20-7-11-24(29)12-8-20)13-14-26(22)36-18-19-5-9-23(10-6-19)28(30,31)32/h5-16H,2-4,17-18H2,1H3,(H,33,34)/b21-15+
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...More data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062718(CHEMBL3397711)
Show SMILES CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C30H29F3O4/c1-2-3-11-24(29(34)35)19-25-20-27(36-18-7-10-22-8-5-4-6-9-22)16-17-28(25)37-21-23-12-14-26(15-13-23)30(31,32)33/h4-10,12-17,19-20H,2-3,11,18,21H2,1H3,(H,34,35)/b10-7+,24-19+
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062724(CHEMBL3397723)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(Oc3ccccn3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C33H30F3NO5/c1-2-3-6-25(32(38)39)19-26-20-29(16-17-30(26)41-22-23-8-12-27(13-9-23)33(34,35)36)40-21-24-10-14-28(15-11-24)42-31-7-4-5-18-37-31/h4-5,7-20H,2-3,6,21-22H2,1H3,(H,38,39)/b25-19+
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322460(2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...)
Show SMILES CCCCC(Sc1nc(OCCC2CCCCC2)cc(OCCC2CCCCC2)n1)C(O)=O
Show InChI InChI=1S/C26H42N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h19-22H,2-18H2,1H3,(H,29,30)
Affinity DataIC50: 5.10E+3nMAssay Description:Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...More data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062621(CHEMBL3397710)
Show SMILES CCCC\C(=C/c1cc(OCc2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C28H27F3O4/c1-2-3-9-22(27(32)33)16-23-17-25(34-18-20-7-5-4-6-8-20)14-15-26(23)35-19-21-10-12-24(13-11-21)28(29,30)31/h4-8,10-17H,2-3,9,18-19H2,1H3,(H,32,33)/b22-16+
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062720(CHEMBL3397708)
Show SMILES CCCC\C(=C/c1cc(ccc1OCc1ccc(cc1)C(F)(F)F)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H25F3O3/c1-2-3-7-22(26(31)32)17-23-16-21(20-8-5-4-6-9-20)12-15-25(23)33-18-19-10-13-24(14-11-19)27(28,29)30/h4-6,8-17H,2-3,7,18H2,1H3,(H,31,32)/b22-17+
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062725(CHEMBL3397722)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(cc2)-c2csc(C)n2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C32H30F3NO4S/c1-3-4-5-25(31(37)38)16-26-17-28(39-18-22-6-10-24(11-7-22)29-20-41-21(2)36-29)14-15-30(26)40-19-23-8-12-27(13-9-23)32(33,34)35/h6-17,20H,3-5,18-19H2,1-2H3,(H,37,38)/b25-16+
Affinity DataIC50: 6.70E+3nMAssay Description:Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062729(CHEMBL3397715)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(F)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C28H26F4O4/c1-2-3-4-21(27(33)34)15-22-16-25(35-17-20-7-11-24(29)12-8-20)13-14-26(22)36-18-19-5-9-23(10-6-19)28(30,31)32/h5-16H,2-4,17-18H2,1H3,(H,33,34)/b21-15+
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...More data for this Ligand-Target Pair
TargetPresenilin-1(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062734(CHEMBL3397714)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C35H33F3O5/c1-2-3-9-28(34(39)40)20-29-21-32(18-19-33(29)43-24-26-10-14-30(15-11-26)35(36,37)38)42-23-27-12-16-31(17-13-27)41-22-25-7-5-4-6-8-25/h4-8,10-21H,2-3,9,22-24H2,1H3,(H,39,40)/b28-20+
Affinity DataIC50: 8.50E+3nMAssay Description:Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...More data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062721(CHEMBL3397724)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(OCCN3CCOCC3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C34H38F3NO6/c1-2-3-4-27(33(39)40)21-28-22-31(13-14-32(28)44-24-25-5-9-29(10-6-25)34(35,36)37)43-23-26-7-11-30(12-8-26)42-20-17-38-15-18-41-19-16-38/h5-14,21-22H,2-4,15-20,23-24H2,1H3,(H,39,40)/b27-21+
Affinity DataIC50: 8.70E+3nMAssay Description:Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...More data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062733(CHEMBL3397719)
Show SMILES CCCC\C(=C/c1cc(OCc2cc3ccccc3s2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C30H27F3O4S/c1-2-3-6-22(29(34)35)15-23-16-25(36-19-26-17-21-7-4-5-8-28(21)38-26)13-14-27(23)37-18-20-9-11-24(12-10-20)30(31,32)33/h4-5,7-17H,2-3,6,18-19H2,1H3,(H,34,35)/b22-15+
Affinity DataIC50: 9.20E+3nMAssay Description:Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50396066(CHEMBL1819479)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C29H26F6O4/c1-2-3-4-21(27(36)37)15-22-16-25(38-17-19-5-9-23(10-6-19)28(30,31)32)13-14-26(22)39-18-20-7-11-24(12-8-20)29(33,34)35/h5-16H,2-4,17-18H2,1H3,(H,36,37)/b21-15+
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ovine COX1-mediated 12-HHT formation preincubated for 5 mins before arachidonic acid addition by HPLC analysisMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062621(CHEMBL3397710)
Show SMILES CCCC\C(=C/c1cc(OCc2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C28H27F3O4/c1-2-3-9-22(27(32)33)16-23-17-25(34-18-20-7-5-4-6-8-20)14-15-26(23)35-19-21-10-12-24(13-11-21)28(29,30)31/h4-8,10-17H,2-3,9,18-19H2,1H3,(H,32,33)/b22-16+
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ovine COX1-mediated 12-HHT formation preincubated for 5 mins before arachidonic acid addition by HPLC analysisMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062718(CHEMBL3397711)
Show SMILES CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C30H29F3O4/c1-2-3-11-24(29(34)35)19-25-20-27(36-18-7-10-22-8-5-4-6-9-22)16-17-28(25)37-21-23-12-14-26(15-13-23)30(31,32)33/h4-10,12-17,19-20H,2-3,11,18,21H2,1H3,(H,34,35)/b10-7+,24-19+
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ovine COX1-mediated 12-HHT formation preincubated for 5 mins before arachidonic acid addition by HPLC analysisMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062729(CHEMBL3397715)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(F)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C28H26F4O4/c1-2-3-4-21(27(33)34)15-22-16-25(35-17-20-7-11-24(29)12-8-20)13-14-26(22)36-18-19-5-9-23(10-6-19)28(30,31)32/h5-16H,2-4,17-18H2,1H3,(H,33,34)/b21-15+
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ovine COX1-mediated 12-HHT formation preincubated for 5 mins before arachidonic acid addition by HPLC analysisMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50062730(CHEMBL3397716)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C28H25Cl2F3O4/c1-2-3-4-20(27(34)35)14-21-15-23(36-17-19-7-11-24(29)25(30)13-19)10-12-26(21)37-16-18-5-8-22(9-6-18)28(31,32)33/h5-15H,2-4,16-17H2,1H3,(H,34,35)/b20-14+
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ovine COX1-mediated 12-HHT formation preincubated for 5 mins before arachidonic acid addition by HPLC analysisMore data for this Ligand-Target Pair
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