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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50117223'   
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))
BDBM50117223
PNG
(5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.180n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.17-0.20


J Med Chem 45: 3703-8 (2002)


Article DOI: 10.1021/jm010570p
BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50117223
PNG
(5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.180n/an/an/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 2443-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50117223
PNG
(5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<0.100n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 2443-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W
More data for this
Ligand-Target Pair