Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX15' and Ligand = 'BDBM22290'   

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))	BDBM22290 (4-pentyl-N-{2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]et...) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccc(cc12)-c1ccc[nH]1 Show InChI InChI=1S/C25H29N3O2S/c1-2-3-4-6-19-8-11-22(12-9-19)31(29,30)28-16-14-21-18-27-25-13-10-20(17-23(21)25)24-7-5-15-26-24/h5,7-13,15,17-18,26-28H,2-4,6,14,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...				Bioorg Med Chem Lett 15: 1435-40 (2005) Article DOI: 10.1016/j.bmcl.2004.12.081 BindingDB Entry DOI: 10.7270/Q2T43RD2
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