Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM22331'   

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 5-lipoxygenase (Homo sapiens (Human))	BDBM22331 (2-amino-5-hydroxyindole, 3m | ethyl 2-[bis(prop-2-...) Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N(CC=C)CC=C Show InChI InChI=1S/C17H20N2O3/c1-4-9-19(10-5-2)16-15(17(21)22-6-3)13-11-12(20)7-8-14(13)18-16/h4-5,7-8,11,18,20H,1-2,6,9-10H2,3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
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