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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a and A3' and Ligand = 'BDBM50407234'   
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 and A3


(Rattus norvegicus)
BDBM50407234
PNG
(CHEMBL2113557)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(SC)nc12
Show InChI InChI=1S/C19H21IN6O4S/c1-21-17(29)14-12(27)13(28)18(30-14)26-8-23-11-15(24-19(31-2)25-16(11)26)22-7-9-4-3-5-10(20)6-9/h3-6,8,12-14,18,27-28H,7H2,1-2H3,(H,21,29)(H,22,24,25)/t12-,13+,14-,18+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-3-iodobenzyl]-adenosine-5''-N-methyluronamide from membranes of CHO ...


J Med Chem 37: 3614-21 (1994)


Article DOI: 10.1021/jm00047a018
BindingDB Entry DOI: 10.7270/Q2348M1V
More data for this
Ligand-Target Pair