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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 = 'BDBM50247933'   
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))
BDBM50247933
PNG
(7-(2,6-difluorobenzyl)-2-(2-(dimethylamino)ethylam...)
Show SMILES COc1cccc(c1)-n1c2nc(NCCN(C)C)ncc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C23H24F2N6O2/c1-29(2)11-10-26-22-27-13-20-21(28-22)31(15-6-4-7-16(12-15)33-3)23(32)30(20)14-17-18(24)8-5-9-19(17)25/h4-9,12-13H,10-11,14H2,1-3H3,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
261n/an/an/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 1399-402 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9
More data for this
Ligand-Target Pair