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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 = 'BDBM50496133'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50496133
PNG
(CHEMBL3121725)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCCl)cc1
Show InChI InChI=1S/C16H17ClN4O3/c1-20-14-12(15(22)21(2)16(20)23)18-13(19-14)10-4-6-11(7-5-10)24-9-3-8-17/h4-7H,3,8-9H2,1-2H3,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
0.0450n/an/an/an/an/an/an/an/a



Panjab University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis


Eur J Med Chem 75: 327-35 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.045
BindingDB Entry DOI: 10.7270/Q20R9SC2
More data for this
Ligand-Target Pair