Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Xanthine dehydrogenase/oxidase' and Ligand = 'BDBM50250502'   

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))	BDBM50250502 ((-)-6-feruloyl-catalpol | CHEMBL463912) Show SMILES COc1cc(\C=C\O[C@@H]2[C@@H]3O[C@@]3(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |r,c:18| Show InChI InChI=1S/C24H30O12/c1-31-14-8-11(2-3-13(14)27)4-6-32-20-12-5-7-33-22(16(12)24(10-26)21(20)36-24)35-23-19(30)18(29)17(28)15(9-25)34-23/h2-8,12,15-23,25-30H,9-10H2,1H3/b6-4+/t12-,15-,16-,17-,18+,19-,20+,21+,22+,23+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin)				J Nat Prod 68: 1615-21 (2005) Article DOI: 10.1021/np058036y BindingDB Entry DOI: 10.7270/Q2TT4QQZ
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