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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 = 'BDBM50519764'   
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))
BDBM50519764
PNG
(CHEMBL4537667)
Show SMILES CCOc1cccc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12
Show InChI InChI=1S/C20H20O6/c1-5-25-15-8-6-7-12-9-14(20(21)26-18(12)15)13-10-16(22-2)19(24-4)17(11-13)23-3/h6-11H,5H2,1-4H3
PDB

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UniProtKB/SwissProt

DrugBank
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay


J Med Chem 63: 2577-2587 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01572
BindingDB Entry DOI: 10.7270/Q23B63JP
More data for this
Ligand-Target Pair