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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 = 'BDBM50059375'   
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))
BDBM50059375
PNG
(5-Amino-3-(4-methoxy-phenyl)-thiazolo[3,2-a]pyrimi...)
Show SMILES COc1ccc(cc1)-c1csc2nc(=O)cc(N)n12
Show InChI InChI=1S/C13H11N3O2S/c1-18-9-4-2-8(3-5-9)10-7-19-13-15-12(17)6-11(14)16(10)13/h2-7H,14H2,1H3
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PC cid
PC sid
UniChem

Patents

Article
PubMed
18n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50059375
PNG
(5-Amino-3-(4-methoxy-phenyl)-thiazolo[3,2-a]pyrimi...)
Show SMILES COc1ccc(cc1)-c1csc2nc(=O)cc(N)n12
Show InChI InChI=1S/C13H11N3O2S/c1-18-9-4-2-8(3-5-9)10-7-19-13-15-12(17)6-11(14)16(10)13/h2-7H,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
18n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human Adenosine A3 receptor expressed in HEK-293 cells


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))
BDBM50059375
PNG
(5-Amino-3-(4-methoxy-phenyl)-thiazolo[3,2-a]pyrimi...)
Show SMILES COc1ccc(cc1)-c1csc2nc(=O)cc(N)n12
Show InChI InChI=1S/C13H11N3O2S/c1-18-9-4-2-8(3-5-9)10-7-19-13-15-12(17)6-11(14)16(10)13/h2-7H,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
18n/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