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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 = 'BDBM50210798'   
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))
BDBM50210798
PNG
(CHEMBL3930969)
Show SMILES Nc1ncc(-c2ccc(O)c(O)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H13N3O2/c17-16-18-9-12(11-6-7-13(20)14(21)8-11)15(19-16)10-4-2-1-3-5-10/h1-9,20-21H,(H2,17,18,19)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair