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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2' and Ligand = 'BDBM50301095'   
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 A2


(Homo sapiens (Human))
BDBM50301095
PNG
(4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)ph...)
Show SMILES CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
Show InChI InChI=1S/C24H27FN2O2/c1-2-13-26-17-20-5-3-19(4-6-20)11-14-27-15-12-23(16-24(27)28)29-18-21-7-9-22(25)10-8-21/h3-10,12,15-16,26H,2,11,13-14,17-18H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of adenosine receptor A2A


Bioorg Med Chem Lett 19: 5186-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.023
BindingDB Entry DOI: 10.7270/Q2G44QCG
More data for this
Ligand-Target Pair