Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Xanthine dehydrogenase/oxidase' and Ligand = 'BDBM50254501'   

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
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50254501 (2-isobutoxy-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-t...) Show SMILES CC(C)COc1ccc(cc1C(O)=O)-c1nnc([nH]1)-c1ccnc(C)c1 Show InChI InChI=1S/C19H20N4O3/c1-11(2)10-26-16-5-4-13(9-15(16)19(24)25)17-21-18(23-22-17)14-6-7-20-12(3)8-14/h4-9,11H,10H2,1-3H3,(H,24,25)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Fuji Yakuhin Co, Ltd Curated by ChEMBL					Assay Description Inhibition of bovine milk xanthine oxidoreductase				Bioorg Med Chem Lett 19: 184-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.122 BindingDB Entry DOI: 10.7270/Q2DR2VBH
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