Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX15' and Ligand = 'BDBM50347313'   

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 (Oryctolagus cuniculus (rabbit))	BDBM50347313 (CHEMBL1796835) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1ccccc1)-c1ccccc1OC Show InChI InChI=1S/C29H33N3O3S/c1-3-4-6-11-22-16-18-24(19-17-22)36(33,34)30-21-20-26-28(23-12-7-5-8-13-23)31-32-29(26)25-14-9-10-15-27(25)35-2/h5,7-10,12-19,30H,3-4,6,11,20-21H2,1-2H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay				Bioorg Med Chem Lett 21: 4141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.107 BindingDB Entry DOI: 10.7270/Q2028RW3
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