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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 = 'BDBM50049403'   
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


(Rattus norvegicus (rat))
BDBM50049403
PNG
(5-Ethyl-3,4-dihydro-2H,5H-[1,3]dioxolo[4,5-j]phena...)
Show SMILES CCn1c2CCCC(=O)c2c2cc3OCOc3cc2c1=O
Show InChI InChI=1S/C16H15NO4/c1-2-17-11-4-3-5-12(18)15(11)9-6-13-14(21-8-20-13)7-10(9)16(17)19/h6-7H,2-5,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.98E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity at Adenosine A2A receptor in rat striatal membranes by [3H]- CGS 21680 displacement.


J Med Chem 39: 781-8 (1996)


Article DOI: 10.1021/jm950661k
BindingDB Entry DOI: 10.7270/Q2M32TV4
More data for this
Ligand-Target Pair