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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine A1 receptor' and Ligand = 'BDBM50420417'   
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 A1 receptor


(Mus musculus)
BDBM50420417
PNG
(CHEMBL2089335)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C#Cc1ccccc1
Show InChI InChI=1/C20H19N5O2/c1-21-19-15-20(24-14(23-19)8-7-11-5-3-2-4-6-11)25(10-22-15)16-12-9-13(12)17(26)18(16)27/h2-6,10,12-13,16-18,26-27H,9H2,1H3,(H,21,23,24)/t12-,13+,16+,17+,18-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from mouse adenosine A1 receptor expressed in HEK293 cell membranes aft...


J Med Chem 56: 5949-63 (2014)


Article DOI: 10.1021/jm4007966
BindingDB Entry DOI: 10.7270/Q2GX4D0R
More data for this
Ligand-Target Pair