Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Seed linoleate 13S-lipoxygenase-1' and Ligand = 'BDBM22363'   

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))	BDBM22363 (1,3-Diarylprop-2-yn-1-one, 17c | 3-(4-methanesulfo...) Show SMILES COc1ccc(C(=O)C#Cc2ccc(cc2)S(C)(=O)=O)c2ccccc12 Show InChI InChI=1S/C21H16O4S/c1-25-21-14-12-18(17-5-3-4-6-19(17)21)20(22)13-9-15-7-10-16(11-8-15)26(2,23)24/h3-8,10-12,14H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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					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
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