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BDBM50426746 CHEMBL2322163

SMILES: Nc1nccc(n1)-c1ccc(OCC2CCC(CC2)C(O)=O)c(c1)C#N

InChI Key: InChIKey=WWACWLVKQUSWPZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50426746   
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


(Bos taurus (Bovine))		BDBM50426746
PNG
(CHEMBL2322163)
Show SMILES Nc1nccc(n1)-c1ccc(OCC2CCC(CC2)C(O)=O)c(c1)C#N |(11.11,-13.05,;12.45,-12.28,;12.45,-10.74,;13.78,-9.97,;15.12,-10.73,;15.12,-12.28,;13.79,-13.05,;16.45,-13.05,;17.78,-12.28,;19.12,-13.04,;19.12,-14.59,;20.46,-15.36,;20.46,-16.9,;21.8,-17.66,;21.8,-19.21,;23.13,-19.97,;24.47,-19.2,;24.46,-17.65,;23.12,-16.89,;25.8,-19.96,;25.8,-21.48,;27.12,-19.19,;17.79,-15.36,;16.45,-14.59,;17.8,-16.9,;17.8,-18.44,)|
Show InChI InChI=1S/C19H20N4O3/c20-10-15-9-14(16-7-8-22-19(21)23-16)5-6-17(15)26-11-12-1-3-13(4-2-12)18(24)25/h5-9,12-13H,1-4,11H2,(H,24,25)(H2,21,22,23)
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Piramal Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis

Bioorg Med Chem Lett 23: 834-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.057
BindingDB Entry DOI: 10.7270/Q28W3FMN
More data for this
Ligand-Target Pair