Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50042951'   

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 (Rattus norvegicus)	BDBM50042951 (3-(3,4-Dihydroxy-phenyl)-1-(5-ethoxy-2-methoxy-phe...) Show SMILES CCOc1ccc(OC)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C18H18O5/c1-3-23-13-6-9-18(22-2)14(11-13)15(19)7-4-12-5-8-16(20)17(21)10-12/h4-11,20-21H,3H2,1-2H3/b7-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Tokushima Bunri University Curated by ChEMBL					Assay Description In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined				J Med Chem 36: 3904-9 (1994) BindingDB Entry DOI: 10.7270/Q2MS3RT4
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