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SMILES: COc1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1

InChI Key: InChIKey=YGXUTTFHTNBHCM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 28386   
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
Adenosine deaminase


(Bos taurus (bovine))		BDBM28386
PNG
(1-(4-methoxyphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1
Show InChI InChI=1S/C20H18N6O3/c1-29-16-8-6-15(7-9-16)24-20(28)23-14-4-2-13(3-5-14)10-26-11-17-18(25-26)21-12-22-19(17)27/h2-9,11-12H,10H2,1H3,(H2,23,24,28)(H,21,22,25,27)
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KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.83E+4 -6.31n/an/an/an/an/a7.230



Universita di Pisa



Assay Description
The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catal...

J Med Chem 52: 1681-92 (2009)


Article DOI: 10.1021/jm801427r
BindingDB Entry DOI: 10.7270/Q29K48J8
More data for this
Ligand-Target Pair