Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM31117'   

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))	BDBM31117 (5-hydroxy-1H-indole-3-carboxylate, 10l) Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H14ClNO3/c1-2-22-17(21)15-13-9-12(20)7-8-14(13)19-16(15)10-3-5-11(18)6-4-10/h3-9,19-20H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	2.00E+3	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...				J Med Chem 52: 3474-83 (2009) Article DOI: 10.1021/jm900212y BindingDB Entry DOI: 10.7270/Q2HM56S5
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