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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50300684'   
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 A3


(Homo sapiens (Human))
BDBM50300684
PNG
(5-methyl-2-p-tolyl-2H-pyrazolo[4,3-d]pyrimidin-7(6...)
Show SMILES Cc1ccc(cc1)-n1cc2nc(C)[nH]c(=O)c2n1
Show InChI InChI=1S/C13H12N4O/c1-8-3-5-10(6-4-8)17-7-11-12(16-17)13(18)15-9(2)14-11/h3-7H,1-2H3,(H,14,15,18)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 52: 7640-52 (2009)


Article DOI: 10.1021/jm900718w
BindingDB Entry DOI: 10.7270/Q26T0MP5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50300684
PNG
(5-methyl-2-p-tolyl-2H-pyrazolo[4,3-d]pyrimidin-7(6...)
Show SMILES Cc1ccc(cc1)-n1cc2nc(C)[nH]c(=O)c2n1
Show InChI InChI=1S/C13H12N4O/c1-8-3-5-10(6-4-8)17-7-11-12(16-17)13(18)15-9(2)14-11/h3-7H,1-2H3,(H,14,15,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
46n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned adenosine A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-inhibited [3H]cAMP production b...


J Med Chem 52: 7640-52 (2009)


Article DOI: 10.1021/jm900718w
BindingDB Entry DOI: 10.7270/Q26T0MP5
More data for this
Ligand-Target Pair