Brief Information of the Compound and Protein
Compound Name
 Compound Info 
8-(4-(4-(4-Chlorophenyl)piperazine-1-sulfonyl)phenyl)-1-propyl-3,7-dihydropurine-2,6-dione
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 PubChem ID
CID: 44185871
SID: 85181274
Canonical SMILES
CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
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Compound Formula C24H25ClN6O4S
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A2b
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Nucleotide-like receptor (family A GPCR)
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Adenosine receptor
Uniprot ID
P29275
Gene Name
ADORA2B
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  6
1
IC50 = 0.534 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.739 nM
   TI
   LI
   LO
   TS
3
IC50 = 18.3 nM
   TI
   LI
   LO
   TS
4
Kd = 0.403 nM
   TI
   LI
   LO
   TS
5
Kd = 0.652 nM
   TI
   LI
   LO
   TS
6
Ki = 0.553 nM
   TI
   LI
   LO
   TS
CL000001 Jurkat
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1.13 nM
   TI
   LI
   LO
   TS