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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine A1 receptor' and Ligand = 'BDBM50090697'   
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)
BDBM50090697
PNG
(7-Chloro-2-phenyl-[1,8]naphthyridin-4-ol | 7-chlor...)
Show SMILES Oc1cc(nc2nc(Cl)ccc12)-c1ccccc1
Show InChI InChI=1S/C14H9ClN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
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PC cid
PC sid
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Article
PubMed
0.150n/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)
BDBM50090697
PNG
(7-Chloro-2-phenyl-[1,8]naphthyridin-4-ol | 7-chlor...)
Show SMILES Oc1cc(nc2nc(Cl)ccc12)-c1ccccc1
Show InChI InChI=1S/C14H9ClN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
PDB

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UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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PubMed
0.150n/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)
BDBM50090697
PNG
(7-Chloro-2-phenyl-[1,8]naphthyridin-4-ol | 7-chlor...)
Show SMILES Oc1cc(nc2nc(Cl)ccc12)-c1ccccc1
Show InChI InChI=1S/C14H9ClN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.62n/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