Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM31103'   

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))	BDBM31103 (5-hydroxy-1H-indole-3-carboxylate, 37) Show SMILES COC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C16H13ClN2O3/c1-22-16(21)14-12-8-11(20)5-6-13(12)19-15(14)18-10-4-2-3-9(17)7-10/h2-8,18-20H,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	300	n/a	2.40E+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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