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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 = 'BDBM50084019'   
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))
BDBM50084019
PNG
(6,7-Dimethoxy-3-[4-(4-methoxy-phenyl)-thiazol-2-yl...)
Show SMILES COc1ccc(cc1)-c1csc(NC2OC(=O)c3c2ccc(OC)c3OC)n1
Show InChI InChI=1/C20H18N2O5S/c1-24-12-6-4-11(5-7-12)14-10-28-20(21-14)22-18-13-8-9-15(25-2)17(26-3)16(13)19(23)27-18/h4-10,18H,1-3H3,(H,21,22)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



ChemBridge Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Adenosine A3 receptor


Bioorg Med Chem Lett 10: 31-4 (2000)


Article DOI: 10.1016/s0960-894x(99)00583-1
BindingDB Entry DOI: 10.7270/Q20G3JC4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50084019
PNG
(6,7-Dimethoxy-3-[4-(4-methoxy-phenyl)-thiazol-2-yl...)
Show SMILES COc1ccc(cc1)-c1csc(NC2OC(=O)c3c2ccc(OC)c3OC)n1
Show InChI InChI=1/C20H18N2O5S/c1-24-12-6-4-11(5-7-12)14-10-28-20(21-14)22-18-13-8-9-15(25-2)17(26-3)16(13)19(23)27-18/h4-10,18H,1-3H3,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 255n/an/an/an/an/an/a



ChemBridge Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Adenosine A3 receptor


Bioorg Med Chem Lett 10: 31-4 (2000)


Article DOI: 10.1016/s0960-894x(99)00583-1
BindingDB Entry DOI: 10.7270/Q20G3JC4
More data for this
Ligand-Target Pair