Compile Data Set for Download or QSAR
Found 4 Enz. Inhib. hit(s) with all data for entry = 50029062
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50281096(CHEMBL86676 | N-{(2E)-3-[3-(4-fluorophenoxy)phenyl...)
Show SMILES CC(\C=C\c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O
Show InChI InChI=1S/C17H17FN2O3/c1-12(20(22)17(19)21)5-6-13-3-2-4-16(11-13)23-15-9-7-14(18)8-10-15/h2-12,22H,1H3,(H2,19,21)/b6-5+
Affinity DataIC50: 80nMAssay Description:The compound was tested in vitro for inhibition against 5-lipoxygenase in intact human neutrophilsMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50281097(CHEMBL87994 | N-{3-[3-(4-fluorophenoxy)phenyl]cycl...)
Show SMILES NC(=O)N(O)[C@H]1C[C@H](C1)c1cccc(Oc2ccc(F)cc2)c1
Show InChI InChI=1S/C17H17FN2O3/c18-13-4-6-15(7-5-13)23-16-3-1-2-11(10-16)12-8-14(9-12)20(22)17(19)21/h1-7,10,12,14,22H,8-9H2,(H2,19,21)/t12-,14+
Affinity DataIC50: 170nMAssay Description:The compound was tested in vitro for inhibition against 5-lipoxygenase in intact human neutrophilsMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50281095(CHEMBL405188 | N-[3-(1-benzothien-2-yl)cyclobutyl]...)
Show SMILES NC(=O)N(O)[C@H]1C[C@@H](C1)c1cc2ccccc2s1
Show InChI InChI=1S/C13H14N2O2S/c14-13(16)15(17)10-5-9(6-10)12-7-8-3-1-2-4-11(8)18-12/h1-4,7,9-10,17H,5-6H2,(H2,14,16)/t9-,10-
Affinity DataIC50: 380nMAssay Description:The compound was tested in vitro for inhibition against 5-lipoxygenase in intact human neutrophilsMore data for this Ligand-Target Pair
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
TBA

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: 3.30E+3nMAssay Description:The compound was tested in vitro for inhibition against 5-lipoxygenase in intact human neutrophilsMore data for this Ligand-Target Pair