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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 = 'BDBM50258903'   
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


(Homo sapiens (Human))
BDBM50258903
PNG
(+/-)-trans-2,3-Dihydro-3-hydroxy-5,6,7-trimethoxy-...)
Show SMILES COc1cc2O[C@@H]([C@@H](O)C(=O)c2c(OC)c1OC)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C18H18O8/c1-23-12-7-11-13(18(25-3)17(12)24-2)14(21)15(22)16(26-11)8-4-5-9(19)10(20)6-8/h4-7,15-16,19-20,22H,1-3H3/t15-,16+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.67E+4n/an/an/an/an/an/a



Pharmacy School of Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) assessed as formation of formazan at 16 ug/ml after 2 hrs by spectrophotometry


Bioorg Med Chem 17: 3414-25 (2009)


Article DOI: 10.1016/j.bmc.2009.03.032
BindingDB Entry DOI: 10.7270/Q25D8RR9
More data for this
Ligand-Target Pair