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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Xanthine dehydrogenase/oxidase' and Ligand = 'BDBM50333146'   
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)
BDBM50333146
PNG
(2-((2,4-dimethylphenoxy)methyl)-7-methyl-5H-[1,3,4...)
Show SMILES Cc1ccc(OCc2nn3c(nc(C)cc3=O)s2)c(C)c1
Show InChI InChI=1S/C15H15N3O2S/c1-9-4-5-12(10(2)6-9)20-8-13-17-18-14(19)7-11(3)16-15(18)21-13/h4-7H,8H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.76E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of rat liver xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50333146
PNG
(2-((2,4-dimethylphenoxy)methyl)-7-methyl-5H-[1,3,4...)
Show SMILES Cc1ccc(OCc2nn3c(nc(C)cc3=O)s2)c(C)c1
Show InChI InChI=1S/C15H15N3O2S/c1-9-4-5-12(10(2)6-9)20-8-13-17-18-14(19)7-11(3)16-15(18)21-13/h4-7H,8H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase by spectrophotometry


Bioorg Med Chem 19: 211-20 (2011)


Article DOI: 10.1016/j.bmc.2010.11.034
BindingDB Entry DOI: 10.7270/Q26H4HPB
More data for this
Ligand-Target Pair