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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50025710'   
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))
BDBM50025710
PNG
(3-Ethyl-1-methyl-8-phenyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C14H14N4O2/c1-3-18-12-10(13(19)17(2)14(18)20)15-11(16-12)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,15,16)
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membrane preparations using N6-[3H]-cyclohexyladenosine as a radioligand


J Med Chem 30: 91-6 (1987)


BindingDB Entry DOI: 10.7270/Q2Q23Z84
More data for this
Ligand-Target Pair