Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX15' and Ligand = 'BDBM50206305'   

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))	BDBM50206305 (CHEMBL3980563) Show SMILES CCCCCNC(=O)c1cc(sc1N)-c1ccccc1 Show InChI InChI=1S/C16H20N2OS/c1-2-3-7-10-18-16(19)13-11-14(20-15(13)17)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10,17H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human 15-LOX-1 assessed as reduction in conversion of linoleic acid to 13(S)-HpODE incubated for 10 mins followed by linoleic acid addi...				Eur J Med Chem 122: 786-801 (2016) Article DOI: 10.1016/j.ejmech.2016.07.010 BindingDB Entry DOI: 10.7270/Q2V126S8
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