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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 = 'BDBM50375501'   
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))
BDBM50375501
PNG
(CHEMBL260891)
Show SMILES CCC(CC)C(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C23H23N3O3/c1-3-15(4-2)22(27)26-23-24-18(16-8-6-5-7-9-16)13-19(25-23)17-10-11-20-21(12-17)29-14-28-20/h5-13,15H,3-4,14H2,1-2H3,(H,24,25,26,27)
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PC sid
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Similars

Article
PubMed
17.6n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 2741-52 (2008)


Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW
More data for this
Ligand-Target Pair