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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 = 'BDBM50333145'   
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)
BDBM50333145
PNG
(7-methyl-2-((4-nitrophenoxy)methyl)-5H-[1,3,4]thia...)
Show SMILES Cc1cc(=O)n2nc(COc3ccc(cc3)[N+]([O-])=O)sc2n1
Show InChI InChI=1S/C13H10N4O4S/c1-8-6-12(18)16-13(14-8)22-11(15-16)7-21-10-4-2-9(3-5-10)17(19)20/h2-6H,7H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.03E+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))
BDBM50333145
PNG
(7-methyl-2-((4-nitrophenoxy)methyl)-5H-[1,3,4]thia...)
Show SMILES Cc1cc(=O)n2nc(COc3ccc(cc3)[N+]([O-])=O)sc2n1
Show InChI InChI=1S/C13H10N4O4S/c1-8-6-12(18)16-13(14-8)22-11(15-16)7-21-10-4-2-9(3-5-10)17(19)20/h2-6H,7H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+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