Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50055121'   

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)	BDBM50055121 (CHEMBL145821 | N-Hydroxy-N-[2,3-dihydro-6-(4-metho...) Show SMILES COc1ccc(COc2ccc3C(COc3c2)N(O)C(N)=O)cc1 Show InChI InChI=1S/C17H18N2O5/c1-22-12-4-2-11(3-5-12)9-23-13-6-7-14-15(19(21)17(18)20)10-24-16(14)8-13/h2-8,15,21H,9-10H2,1H3,(H2,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against rat 5-lipoxygenase by using continuous oxygen consumption assay.				J Med Chem 39: 5035-46 (1997) Article DOI: 10.1021/jm960271d BindingDB Entry DOI: 10.7270/Q2Q23ZB1
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