Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Xanthine dehydrogenase/oxidase' and Ligand = 'BDBM50449104'   

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 (Homo sapiens (Human))	BDBM50449104 (CHEMBL3127117) Show SMILES Nc1nc(c(Cl)c(=O)[nH]1)-c1ccc(OCC2CCOC2)c(OC(F)(F)F)c1 Show InChI InChI=1S/C16H15ClF3N3O4/c17-12-13(22-15(21)23-14(12)24)9-1-2-10(11(5-9)27-16(18,19)20)26-7-8-3-4-25-6-8/h1-2,5,8H,3-4,6-7H2,(H3,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotomet...				Bioorg Med Chem Lett 24: 1315-21 (2014) Article DOI: 10.1016/j.bmcl.2014.01.050 BindingDB Entry DOI: 10.7270/Q2V69M3N
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Rattus norvegicus)	BDBM50449104 (CHEMBL3127117) Show SMILES Nc1nc(c(Cl)c(=O)[nH]1)-c1ccc(OCC2CCOC2)c(OC(F)(F)F)c1 Show InChI InChI=1S/C16H15ClF3N3O4/c17-12-13(22-15(21)23-14(12)24)9-1-2-10(11(5-9)27-16(18,19)20)26-7-8-3-4-25-6-8/h1-2,5,8H,3-4,6-7H2,(H3,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of rat xanthine oxidase				Bioorg Med Chem Lett 24: 1315-21 (2014) Article DOI: 10.1016/j.bmcl.2014.01.050 BindingDB Entry DOI: 10.7270/Q2V69M3N
					More data for this Ligand-Target Pair