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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 = 'BDBM50065010'   
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))
BDBM50065010
PNG
(CHEMBL3401300)
Show SMILES O=C(CC1CCCC1)Nc1ccc(cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C17H19N3O2S/c21-15(11-12-3-1-2-4-12)19-14-7-5-13(6-8-14)16(22)20-17-18-9-10-23-17/h5-10,12H,1-4,11H2,(H,19,21)(H,18,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
67n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 25: 1212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.062
BindingDB Entry DOI: 10.7270/Q22Z1779
More data for this
Ligand-Target Pair