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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine A1 receptor' and Ligand = 'BDBM50090684'   
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


(BOVINE)
BDBM50090684
PNG
(7-Methoxy-2-phenyl-[1,8]naphthyridin-4-ol | 7-meth...)
Show SMILES COc1ccc2c(O)cc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c1-19-14-8-7-11-13(18)9-12(16-15(11)17-14)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
1.60n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


J Med Chem 43: 2814-23 (2000)


BindingDB Entry DOI: 10.7270/Q21R6R6K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50090684
PNG
(7-Methoxy-2-phenyl-[1,8]naphthyridin-4-ol | 7-meth...)
Show SMILES COc1ccc2c(O)cc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c1-19-14-8-7-11-13(18)9-12(16-15(11)17-14)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in bovine cortical membranes using [3H]-CHA as radioligand


J Med Chem 47: 3019-31 (2004)


Article DOI: 10.1021/jm030977p
BindingDB Entry DOI: 10.7270/Q2BC3Z07
More data for this
Ligand-Target Pair