Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Xanthine dehydrogenase/oxidase' and Ligand = 'BDBM50517031'   

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))	BDBM50517031 (CHEMBL4469027) Show SMILES CC(=C)COc1ccc(cc1C#N)-c1ncc(C(O)=O)c(=N)[nH]1 Show InChI InChI=1S/C16H14N4O3/c1-9(2)8-23-13-4-3-10(5-11(13)6-17)15-19-7-12(16(21)22)14(18)20-15/h3-5,7H,1,8H2,2H3,(H,21,22)(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated with enzyme for 15 mins f...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.061 BindingDB Entry DOI: 10.7270/Q2ST7T69
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