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 = 'BDBM50316902'   
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))
BDBM50316902
PNG
(2-amino-8-(2-(diisopropylamino)ethoxy)-4-(4-fluoro...)
Show SMILES CC(C)N(CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1)C(C)C
Show InChI InChI=1S/C25H27FN4O2/c1-14(2)30(15(3)4)11-12-32-18-9-10-19-20(13-18)23-21(24(19)31)22(28-25(27)29-23)16-5-7-17(26)8-6-16/h5-10,13-15H,11-12H2,1-4H3,(H2,27,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
468n/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