BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50513529'   
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))		BDBM50513529
PNG
(CHEMBL4451808)
Show SMILES Nc1nc(N\N=C\c2ccc(Br)cn2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H17BrN8O4/c17-7-1-2-8(19-3-7)4-21-24-16-22-13(18)10-14(23-16)25(6-20-10)15-12(28)11(27)9(5-26)29-15/h1-4,6,9,11-12,15,26-28H,5H2,(H3,18,22,23,24)/b21-4+/t9-,11-,12-,15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 239n/an/an/an/an/an/an/an/a



National Engineering Research Center for the Emergency Drug

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting ...

Eur J Med Chem 179: 310-324 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.050
BindingDB Entry DOI: 10.7270/Q24B34NM
More data for this
Ligand-Target Pair