Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Seed linoleate 13S-lipoxygenase-1' and Ligand = 'BDBM50135283'   

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))	BDBM50135283 (CHEMBL3747650) Show SMILES CC(C)OC(=O)C12CC3CC(CC(C3)(C1)OC(=O)c1cc(on1)N(O)C1CCCO1)C2 |TLB:7:6:13.8.9:11,9:10:14:13.8.7,THB:7:8:11:14.6.30| Show InChI InChI=1S/C22H30N2O7/c1-13(2)29-20(26)21-8-14-6-15(9-21)11-22(10-14,12-21)30-19(25)16-7-18(31-23-16)24(27)17-4-3-5-28-17/h7,13-15,17,27H,3-6,8-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.77E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of soybean LOX1 assessed as reduction in linoleic acid oxidation measured every 10 s for 10 mins by spectrophotometry analysis				Bioorg Med Chem 24: 712-20 (2016) Article DOI: 10.1016/j.bmc.2015.12.040 BindingDB Entry DOI: 10.7270/Q28C9Z37
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