Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Seed linoleate 9S-lipoxygenase-3' and Ligand = 'BDBM234361'   

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))	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
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