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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 = 'BDBM50248434'   
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))
BDBM50248434
PNG
(2-(cyclopropylamino)-7-(2-fluoro-6-methoxybenzyl)-...)
Show SMILES COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2c(F)cccc2OC)c1=O
Show InChI InChI=1S/C23H22FN5O3/c1-31-16-6-3-5-15(11-16)29-21-19(12-25-22(27-21)26-14-9-10-14)28(23(29)30)13-17-18(24)7-4-8-20(17)32-2/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
6n/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