Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX15' and Ligand = 'BDBM22301'   

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))	BDBM22301 (N-{2-[2-(2,5-dimethoxyphenyl)-1H-indol-3-yl]ethyl}...) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc(OC)ccc1OC Show InChI InChI=1S/C29H34N2O4S/c1-4-5-6-9-21-12-15-23(16-13-21)36(32,33)30-19-18-25-24-10-7-8-11-27(24)31-29(25)26-20-22(34-2)14-17-28(26)35-3/h7-8,10-17,20,30-31H,4-6,9,18-19H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	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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