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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 = 'BDBM50342510'   
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))		BDBM50342510
PNG
(CHEMBL1771805 | Methyl2-(4-(3-(5-amino-2-(furan-2-...)
Show SMILES COC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C22H21N7O4/c1-31-18(30)13-33-15-8-6-14(7-9-15)4-2-10-28-20-16(12-24-28)21-25-19(17-5-3-11-32-17)27-29(21)22(23)26-20/h3,5-9,11-12H,2,4,10,13H2,1H3,(H2,23,26)
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Similars
Article
PubMed
 96n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting

Bioorg Med Chem Lett 21: 2740-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.082
BindingDB Entry DOI: 10.7270/Q2RV0P0B
More data for this
Ligand-Target Pair