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BDBM50340043 5-amino-2-(3-chlorobenzyl)-7-(2-(4-morpholinopiperidin-1-yl)ethyl)-2H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3(7H)-one::CHEMBL1762627

SMILES: Nc1nc2n(CCN3CCC(CC3)N3CCOCC3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12

InChI Key: InChIKey=AQAADVKIZKSESP-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50340043   
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 receptor A2a


(Homo sapiens (Human))		BDBM50340043
PNG
(5-amino-2-(3-chlorobenzyl)-7-(2-(4-morpholinopiper...)
Show SMILES Nc1nc2n(CCN3CCC(CC3)N3CCOCC3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12
Show InChI InChI=1S/C24H30ClN9O2/c25-18-3-1-2-17(14-18)16-33-24(35)34-22(29-33)20-15-27-32(21(20)28-23(34)26)9-8-30-6-4-19(5-7-30)31-10-12-36-13-11-31/h1-3,14-15,19H,4-13,16H2,(H2,26,28)
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Article
PubMed
 6.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2A receptor

Bioorg Med Chem Lett 21: 2497-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.045
BindingDB Entry DOI: 10.7270/Q21Z44Q5
More data for this
Ligand-Target Pair