Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50012472'   

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))	BDBM50012472 (2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-3...) Show SMILES COc1cc2oc(c(C)c(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C18H16O7/c1-8-15(21)14-12(7-13(23-2)18(24-3)16(14)22)25-17(8)9-4-5-10(19)11(20)6-9/h4-7,19-20,22H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokushima Curated by ChEMBL					Assay Description Inhibition of arachidonate 5-lipoxygenase purified from porcine leukocytes.				J Med Chem 34: 2169-76 (1991) BindingDB Entry DOI: 10.7270/Q2J10250
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