Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with Target = 'Seed linoleate 9S-lipoxygenase' AND taxid = 3847   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234360 (2-Allyl-1-isopropoxy-4-methoxybenzene (4d)) Show SMILES COc1ccc(OC(C)C)c(CC=C)c1 Show InChI InChI=1S/C13H18O2/c1-5-6-11-9-12(14-4)7-8-13(11)15-10(2)3/h5,7-10H,1,6H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.14E+3	-31.2	5.90E+3	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234363 (2-Allyl-1-isobutoxy-4-methoxybenzene (4g)) Show SMILES COc1ccc(OCC(C)C)c(CC=C)c1 Show InChI InChI=1S/C14H20O2/c1-5-6-12-9-13(15-4)7-8-14(12)16-10-11(2)3/h5,7-9,11H,1,6,10H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.43E+3	-28.7	3.58E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234359 (2-Allyl-4-methoxy-1-propoxybenzene (4c)) Show SMILES CCCOc1ccc(OC)cc1CC=C Show InChI InChI=1S/C13H18O2/c1-4-6-11-10-12(14-3)7-8-13(11)15-9-5-2/h4,7-8,10H,1,5-6,9H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.88E+3	-28.4	3.43E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234362 (2-Allyl-1-sec-butoxy-4-methoxybenzene (4f)) Show SMILES CCC(C)Oc1ccc(OC)cc1CC=C Show InChI InChI=1S/C14H20O2/c1-5-7-12-10-13(15-4)8-9-14(12)16-11(3)6-2/h5,8-11H,1,6-7H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.91E+3	-26.8	2.08E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234366 (2-Allyl-1-cyclohexyloxy-4-methoxybenzene (4j)) Show SMILES COc1ccc(OC2CCCCC2)c(CC=C)c1 Show InChI InChI=1S/C16H22O2/c1-3-7-13-12-15(17-2)10-11-16(13)18-14-8-5-4-6-9-14/h3,10-12,14H,1,4-9H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.38E+4	-25.5	4.41E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234365 (2-Allyl-1-cyclopentyloxy-4-methoxybenzene (4i)) Show SMILES COc1ccc(OC2CCCC2)c(CC=C)c1 Show InChI InChI=1S/C15H20O2/c1-3-6-12-11-14(16-2)9-10-15(12)17-13-7-4-5-8-13/h3,9-11,13H,1,4-8H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.41E+4	-25.5	4.02E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234361 (2-Allyl-1-butoxy-4-methoxybenzene (4e)) Show SMILES CCCCOc1ccc(OC)cc1CC=C Show InChI InChI=1S/C14H20O2/c1-4-6-10-16-14-9-8-13(15-3)11-12(14)7-5-2/h5,8-9,11H,2,4,6-7,10H2,1,3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.72E+4	-25.0	5.86E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234358 (2-Allyl-1-ethoxy-4-methoxybenzene (4b)) Show SMILES CCOc1ccc(OC)cc1CC=C Show InChI InChI=1S/C12H16O2/c1-4-6-10-9-11(13-3)7-8-12(10)14-5-2/h4,7-9H,1,5-6H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.72E+4	-24.0	9.11E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234357 (2-Allyl-1,4-dimethoxybenzene (4a)) Show SMILES COc1ccc(OC)c(CC=C)c1 Show InChI InChI=1S/C11H14O2/c1-4-5-9-8-10(12-2)6-7-11(9)13-3/h4,6-8H,1,5H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.19E+4	-23.6	9.31E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM234364 (2-Allyl-1- tert-butoxy-4-methoxybenzene (4h)) Show SMILES COc1ccc(OC(C)(C)C)c(CC=C)c1 Show InChI InChI=1S/C14H20O2/c1-6-7-11-10-12(15-5)8-9-13(11)16-14(2,3)4/h6,8-10H,1,7H2,2-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.32E+4	-23.5	1.14E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase (Glycine max)	BDBM50448213 (CHEMBL3120704) Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC=C Show InChI InChI=1S/C21H32/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,6,8,11-14,17-20H,1,4-5,7,9-10,15-16,21H2,2H3/b8-6-,13-11-,14-12-,19-17-,20-18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of soybean lipoxygenase				Bioorg Med Chem Lett 24: 1383-5 (2014) Article DOI: 10.1016/j.bmcl.2014.01.046 BindingDB Entry DOI: 10.7270/Q2M046X9
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase (Glycine max)	BDBM50140137 (CHEMBL3753908) Show SMILES COc1ccc2cc(ccc2c1)C(C)C(=O)N1CCSCC1 Show InChI InChI=1S/C18H21NO2S/c1-13(18(20)19-7-9-22-10-8-19)14-3-4-16-12-17(21-2)6-5-15(16)11-14/h3-6,11-13H,7-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aristotelian University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of soybean lipoxygenase assessed as formation of 13-hydroperoxylinoleic acid after 7 mins				Bioorg Med Chem Lett 26: 910-3 (2016) Article DOI: 10.1016/j.bmcl.2015.12.063 BindingDB Entry DOI: 10.7270/Q2GM8955
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM50164168 (1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...) Show SMILES COc1cc(CC=C)ccc1O Show InChI InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.41E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase (Glycine max)	BDBM50448212 (CHEMBL3120703) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC=C Show InChI InChI=1S/C21H34/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,11-14,17-20H,1,4-10,15-16,21H2,2H3/b13-11-,14-12-,19-17-,20-18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of soybean lipoxygenase				Bioorg Med Chem Lett 24: 1383-5 (2014) Article DOI: 10.1016/j.bmcl.2014.01.046 BindingDB Entry DOI: 10.7270/Q2M046X9
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM50379791 (METHYLEUGENOL | Methyl eugenol (1)) Show SMILES COc1ccc(CC=C)cc1OC Show InChI InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.61E+4	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase-3 (Glycine max (Soybean))	BDBM192757 (1,2-dimethoxy-3-(prop-2-en-1-yl)benzene (3) | Meth...) Show SMILES COc1cccc(CC=C)c1OC Show InChI InChI=1S/C11H14O2/c1-4-6-9-7-5-8-10(12-2)11(9)13-3/h4-5,7-8H,1,6H2,2-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+5	n/a	n/a	n/a	n/a	9.0	1
Mashhad University of Medical Sciences					Assay Description Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. ...				J Enzyme Inhib Med Chem 26: 238-44 (2011) Article DOI: 10.3109/14756366.2010.495717 BindingDB Entry DOI: 10.7270/Q25D8QQF
					More data for this Ligand-Target Pair
Seed linoleate 9S-lipoxygenase (Glycine max)	BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of soybean lipoxygenase				Bioorg Med Chem Lett 24: 1383-5 (2014) Article DOI: 10.1016/j.bmcl.2014.01.046 BindingDB Entry DOI: 10.7270/Q2M046X9
					More data for this Ligand-Target Pair