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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Xanthine dehydrogenase/oxidase' and Ligand = 'BDBM50084979'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Xanthine dehydrogenase/oxidase


(Rattus norvegicus)
BDBM50084979
PNG
(3,5,7-Trihydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)...)
Show SMILES COc1cc(ccc1O)C1Oc2cc(ccc2OC1CO)-c1oc2cc(O)cc(=O)c2c(O)c1O
Show InChI InChI=1S/C25H20O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,24,26-28,30-31H,10H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.03E+4n/an/an/an/an/an/a



Pharmacy School of Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase after 2 hrs by spectrophotometry


J Med Chem 52: 7732-52 (2009)


Article DOI: 10.1021/jm900735p
BindingDB Entry DOI: 10.7270/Q2CF9R2X
More data for this
Ligand-Target Pair