Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX15' and Ligand = 'BDBM50206303'   

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))	BDBM50206303 (CHEMBL3925842) Show SMILES CCCCCCCC(=O)Nc1sc(cc1C(=O)NCCCC)-c1ccccc1 Show InChI InChI=1S/C23H32N2O2S/c1-3-5-7-8-12-15-21(26)25-23-19(22(27)24-16-6-4-2)17-20(28-23)18-13-10-9-11-14-18/h9-11,13-14,17H,3-8,12,15-16H2,1-2H3,(H,24,27)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.82E+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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