Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX15' and Ligand = 'BDBM50182513'   

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))	BDBM50182513 (CHEMBL204926 | ethyl 1-(3-(3,5-dimethylphenylamino...) Show SMILES CCOC(=O)C1CCN(CCC(=O)Nc2cc(C)cc(C)c2)CC1 Show InChI InChI=1S/C19H28N2O3/c1-4-24-19(23)16-5-8-21(9-6-16)10-7-18(22)20-17-12-14(2)11-15(3)13-17/h11-13,16H,4-10H2,1-3H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	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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