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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 = 'BDBM50248319'   
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))
BDBM50248319
PNG
(2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-(3-(tri...)
Show SMILES COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(OC(F)(F)F)c2)c1=O
Show InChI InChI=1S/C23H20F3N5O3/c1-33-19-8-3-2-5-14(19)13-30-18-12-27-21(28-15-9-10-15)29-20(18)31(22(30)32)16-6-4-7-17(11-16)34-23(24,25)26/h2-8,11-12,15H,9-10,13H2,1H3,(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
206n/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