Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Seed linoleate 9S-lipoxygenase' and Ligand = 'BDBM50140137'   

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 (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
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