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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 = 'BDBM50316884'   
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))
BDBM50316884
PNG
(2-amino-8-(2-(diethylamino)ethoxy)-4-(4-fluorophen...)
Show SMILES CCN(CC)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
Show InChI InChI=1S/C23H23FN4O2/c1-3-28(4-2)11-12-30-16-9-10-17-18(13-16)21-19(22(17)29)20(26-23(25)27-21)14-5-7-15(24)8-6-14/h5-10,13H,3-4,11-12H2,1-2H3,(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50.6n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair