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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50340053'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50340053
PNG
(11-amino-2-benzyl-4,5-dihydrobenzo[h][1,2,4]triazo...)
Show SMILES Nc1nc2-c3ccccc3CCc2c2nn(Cc3ccccc3)c(=O)n12
Show InChI InChI=1S/C20H17N5O/c21-19-22-17-15-9-5-4-8-14(15)10-11-16(17)18-23-24(20(26)25(18)19)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,21,22)
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
0.5n/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