Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX15' and Ligand = 'BDBM22285'   

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))	BDBM22285 (N-[1-(1H-indol-3-yl)propan-2-yl]-4-pentylbenzene-1...) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NC(C)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C22H28N2O2S/c1-3-4-5-8-18-11-13-20(14-12-18)27(25,26)24-17(2)15-19-16-23-22-10-7-6-9-21(19)22/h6-7,9-14,16-17,23-24H,3-5,8,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	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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