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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 = 'BDBM50147858'   
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)
BDBM50147858
PNG
(7-(dimethylamino)-2-phenyl-1,8-naphthyridin-4-ol |...)
Show SMILES CN(C)c1ccc2c(O)cc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C16H15N3O/c1-19(2)15-9-8-12-14(20)10-13(17-16(12)18-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,20)
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.560n/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
Adenosine A1 receptor


(BOVINE)
BDBM50147858
PNG
(7-(dimethylamino)-2-phenyl-1,8-naphthyridin-4-ol |...)
Show SMILES CN(C)c1ccc2c(O)cc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C16H15N3O/c1-19(2)15-9-8-12-14(20)10-13(17-16(12)18-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.02n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from adenosine A1 receptor in bovine brain cortical membranes


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