Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX12' and Ligand = 'BDBM50182508'   

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 ALOX12 (Homo sapiens (Human))	BDBM50182508 (CHEMBL201191 | ethyl 2-(4-phenylbutanamido)benzoat...) Show SMILES CCOC(=O)c1ccccc1NC(=O)CCCc1ccccc1 Show InChI InChI=1S/C19H21NO3/c1-2-23-19(22)16-12-6-7-13-17(16)20-18(21)14-8-11-15-9-4-3-5-10-15/h3-7,9-10,12-13H,2,8,11,14H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 12-hLO				J Med Chem 49: 1356-63 (2006) Article DOI: 10.1021/jm050639j BindingDB Entry DOI: 10.7270/Q2057FH3
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