Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX15' and Ligand = 'BDBM50182498'   

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))	BDBM50182498 (1-(2-phenoxyacetyl)-3-(4-(pyridin-4-ylmethyl)pheny...) Show SMILES O=C(COc1ccccc1)NC(=S)Nc1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C21H19N3O2S/c25-20(15-26-19-4-2-1-3-5-19)24-21(27)23-18-8-6-16(7-9-18)14-17-10-12-22-13-11-17/h1-13H,14-15H2,(H2,23,24,25,27)	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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