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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a/A2b' and Ligand = 'BDBM50368358'   
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/A2b


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50368358
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (2...)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(=O)NC)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C18H25N7O4/c1-3-4-5-6-7-11-23-15(19)12-16(24-11)25(9-22-12)17-14(27)13(26)10(29-17)8-21-18(28)20-2/h9-10,13-14,17,26-27H,3-5,8H2,1-2H3,(H2,19,23,24)(H2,20,21,28)/t10-,13-,14-,17?/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>181n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor from rat striatum using [3H]NECA as radioligand.


J Med Chem 35: 2881-90 (1992)


BindingDB Entry DOI: 10.7270/Q22B8ZMC
More data for this
Ligand-Target Pair