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SMILES: Nc1nc(c(Cl)c(=O)[nH]1)-c1ccc(OCC2CCOC2)c(c1)C(F)(F)F

InChI Key: InChIKey=CMUSWEIFTDZTPG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50449098   
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))		BDBM50449098
PNG
(CHEMBL3127116)
Show SMILES Nc1nc(c(Cl)c(=O)[nH]1)-c1ccc(OCC2CCOC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H15ClF3N3O3/c17-12-13(22-15(21)23-14(12)24)9-1-2-11(10(5-9)16(18,19)20)26-7-8-3-4-25-6-8/h1-2,5,8H,3-4,6-7H2,(H3,21,22,23,24)
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KEGG

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Similars
Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 ...

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