Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Seed linoleate 13S-lipoxygenase-1' and Ligand = 'BDBM22354'   

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 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22354 (1,3-Diarylprop-2-yn-1-one, 13k | 1-(4-hydroxypheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,17H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity against 5-lipoxygenase obtained from potato				Bioorg Med Chem Lett 15: 4842-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.036 BindingDB Entry DOI: 10.7270/Q2RJ4K7N
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22354 (1,3-Diarylprop-2-yn-1-one, 13k | 1-(4-hydroxypheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,17H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...				J Med Chem 49: 1668-83 (2006) Article DOI: 10.1021/jm0510474 BindingDB Entry DOI: 10.7270/Q2DV1H5S
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM22354 (1,3-Diarylprop-2-yn-1-one, 13k | 1-(4-hydroxypheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,17H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity against 15-lipoxygenase obtained from soybean				Bioorg Med Chem Lett 15: 4842-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.036 BindingDB Entry DOI: 10.7270/Q2RJ4K7N
					More data for this Ligand-Target Pair