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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 = 'BDBM50449114'   
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))		BDBM50449114
PNG
(CHEMBL3127127)
Show SMILES CC(C)(C)COc1ccc(cc1)-c1cc(=O)[nH]c(N)n1
Show InChI InChI=1S/C15H19N3O2/c1-15(2,3)9-20-11-6-4-10(5-7-11)12-8-13(19)18-14(16)17-12/h4-8H,9H2,1-3H3,(H3,16,17,18,19)
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MMDB

KEGG

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotomet...

Bioorg Med Chem Lett 24: 1315-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.050
BindingDB Entry DOI: 10.7270/Q2V69M3N
More data for this
Ligand-Target Pair