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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 = 'BDBM50316882'   
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


(Homo sapiens (Human))
BDBM50316882
PNG
(2-amino-8-(2-(dimethylamino)ethoxy)-4-(4-fluorophe...)
Show SMILES CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
Show InChI InChI=1S/C21H19FN4O2/c1-26(2)9-10-28-14-7-8-15-16(11-14)19-17(20(15)27)18(24-21(23)25-19)12-3-5-13(22)6-4-12/h3-8,11H,9-10H2,1-2H3,(H2,23,24,25)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
37.4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair