new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50367412'   
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 A1


(Rattus norvegicus (rat))
BDBM50367412
PNG
(CHEMBL604410)
Show SMILES CC(C)(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C20H25N5O4/c1-20(2,12-6-4-3-5-7-12)9-21-17-14-18(23-10-22-17)25(11-24-14)19-16(28)15(27)13(8-26)29-19/h3-7,10-11,13,15-16,19,26-28H,8-9H2,1-2H3,(H,21,22,23)/t13-,15-,16-,19?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
16n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.


J Med Chem 30: 1709-11 (1987)


BindingDB Entry DOI: 10.7270/Q2SJ1M5B
More data for this
Ligand-Target Pair