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BDBM50340035 5-amino-2-(3-chlorobenzyl)-7-(2-(4-(2-fluoro-4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-2H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3(7H)-one::CHEMBL1762635

SMILES: COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3c4nn(Cc4cccc(Cl)c4)c3=O)CC2)c(F)c1

InChI Key: InChIKey=NAVXNGGXZQKHPO-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50340035   
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))		BDBM50340035
PNG
(5-amino-2-(3-chlorobenzyl)-7-(2-(4-(2-fluoro-4-(2-...)
Show SMILES COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3c4nn(Cc4cccc(Cl)c4)c3=O)CC2)c(F)c1
Show InChI InChI=1S/C28H31ClFN9O3/c1-41-13-14-42-21-5-6-24(23(30)16-21)36-10-7-35(8-11-36)9-12-37-25-22(17-32-37)26-34-38(28(40)39(26)27(31)33-25)18-19-3-2-4-20(29)15-19/h2-6,15-17H,7-14,18H2,1H3,(H2,31,33)
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Similars
Article
PubMed
 15.6n/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