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SMILES: CC(C)(C)COc1ccc(cc1OC(F)(F)F)-c1nc(N)[nH]c(=O)c1C#N

InChI Key: InChIKey=CJNNMPWWFJQGRZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50449107   
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))		BDBM50449107
PNG
(CHEMBL3127136)
Show SMILES CC(C)(C)COc1ccc(cc1OC(F)(F)F)-c1nc(N)[nH]c(=O)c1C#N
Show InChI InChI=1S/C17H17F3N4O3/c1-16(2,3)8-26-11-5-4-9(6-12(11)27-17(18,19)20)13-10(7-21)14(25)24-15(22)23-13/h4-6H,8H2,1-3H3,(H3,22,23,24,25)
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Article
PubMed
n/an/a 20n/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