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BDBM50340051 5-amino-2-(3-chlorobenzyl)-7-vinyl-2H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3(7H)-one::CHEMBL1762511

SMILES: Nc1nc2n(C=C)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12

InChI Key: InChIKey=USHVKANYNPAMEZ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50340051   
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 A2


(Homo sapiens (Human))
BDBM50340051
PNG
(5-amino-2-(3-chlorobenzyl)-7-vinyl-2H-pyrazolo[4,3...)
Show SMILES Nc1nc2n(C=C)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12
Show InChI InChI=1S/C15H12ClN7O/c1-2-21-12-11(7-18-21)13-20-22(15(24)23(13)14(17)19-12)8-9-4-3-5-10(16)6-9/h2-7H,1,8H2,(H2,17,19)
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Similars

Article
PubMed
0.400n/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