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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 = 'BDBM50468298'   
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


(Bos taurus (Bovine))
BDBM50468298
PNG
(CHEMBL4293784)
Show SMILES Oc1ccc(cc1O)-c1cc2c(\C=C\C(=O)N3CCCCC3)ccc(O)c2o1
Show InChI InChI=1S/C22H21NO5/c24-17-7-5-15(12-19(17)26)20-13-16-14(4-8-18(25)22(16)28-20)6-9-21(27)23-10-2-1-3-11-23/h4-9,12-13,24-26H,1-3,10-11H2/b9-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.12E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase using xanthine as substrate preincubated for 3 mins followed by substrate addition and measured for every 15 se...


Eur J Med Chem 151: 849-860 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.096
BindingDB Entry DOI: 10.7270/Q2VT1VT4
More data for this
Ligand-Target Pair