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SMILES: Nc1nc(c(Cl)c(=O)[nH]1)-c1ccc(OCCCCO)c(c1)C#N

InChI Key: InChIKey=LEVILMOHBHMMQJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50449109   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50449109
PNG
(CHEMBL3127133)
Show SMILES Nc1nc(c(Cl)c(=O)[nH]1)-c1ccc(OCCCCO)c(c1)C#N
Show InChI InChI=1S/C15H15ClN4O3/c16-12-13(19-15(18)20-14(12)22)9-3-4-11(10(7-9)8-17)23-6-2-1-5-21/h3-4,7,21H,1-2,5-6H2,(H3,18,19,20,22)
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Similars
Article
PubMed
n/an/a 4n/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