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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 = 'BDBM50292535'   
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))
BDBM50292535
PNG
(5,7-Dihydroxy-2-(4-hydroxy-phenyl)-3,6-dimethoxy-c...)
Show SMILES COc1c(O)cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c1O
Show InChI InChI=1S/C17H14O7/c1-22-16-10(19)7-11-12(13(16)20)14(21)17(23-2)15(24-11)8-3-5-9(18)6-4-8/h3-7,18-20H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cow milk xanthine oxidase


J Nat Prod 51: 345-348 (1988)


Article DOI: 10.1021/np50056a030
BindingDB Entry DOI: 10.7270/Q2DJ5FNN
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50292535
PNG
(5,7-Dihydroxy-2-(4-hydroxy-phenyl)-3,6-dimethoxy-c...)
Show SMILES COc1c(O)cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c1O
Show InChI InChI=1S/C17H14O7/c1-22-16-10(19)7-11-12(13(16)20)14(21)17(23-2)15(24-11)8-3-5-9(18)6-4-8/h3-7,18-20H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Universidad Nacional de C£rdoba

Curated by ChEMBL


Assay Description
Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins...


Eur J Med Chem 143: 577-582 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.071
BindingDB Entry DOI: 10.7270/Q2X35144
More data for this
Ligand-Target Pair