Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX15' and Ligand = 'BDBM50182507'   

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
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50182507 (2-chloro-N-(2-methyl-4-(phenylthiomethyl)phenyl)be...) Show SMILES Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1Cl Show InChI InChI=1S/C21H18ClNOS/c1-15-13-16(14-25-17-7-3-2-4-8-17)11-12-20(15)23-21(24)18-9-5-6-10-19(18)22/h2-13H,14H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of 15-hLO				J Med Chem 49: 1356-63 (2006) Article DOI: 10.1021/jm050639j BindingDB Entry DOI: 10.7270/Q2057FH3
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