Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX15' and Ligand = 'BDBM22297'   

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))	BDBM22297 (N-{2-[2-(3-methylphenyl)-1H-indol-3-yl]ethyl}-4-pe...) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cccc(C)c1 Show InChI InChI=1S/C28H32N2O2S/c1-3-4-5-10-22-14-16-24(17-15-22)33(31,32)29-19-18-26-25-12-6-7-13-27(25)30-28(26)23-11-8-9-21(2)20-23/h6-9,11-17,20,29-30H,3-5,10,18-19H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	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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