Reaction Details Report a problem with these data
Target
Adenosine receptor A2b
Ligand
BDBM50322845
Substrate
n/a
Meas. Tech.
ChEMBL_644535 (CHEMBL1211412)
Ki
14±n/a nM
Citation
 Cheng, F; Xu, Z; Liu, G; Tang, Y Insights into binding modes of adenosine A(2B) antagonists with ligand-based and receptor-based methods. Eur J Med Chem 45:3459-71 (2010) [PubMed]  Article 
Target
Name:
Adenosine receptor A2b
Synonyms:
AA2BR_HUMAN | ADENOSINE A2B | ADORA2B | Adenosine receptor A2B (A2B) | Adenosine receptors A2b | Adenosine receptors; A2a & A2b
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36341.22
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
332
Sequence:
MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFAIPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGTRARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYTFHKIISRYLLCQADVKSGNGQAGVQPALGVGL
  
Inhibitor
Name:
BDBM50322845
Synonyms:
3-methyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione | 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-3-methyl-1-propyl-1H-purine-2,6(3H,7H)-dione | CHEMBL260975
Type:
Small organic molecule
Emp. Form.:
C20H19F3N6O2
Mol. Mass.:
432.3991
SMILES:
CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Structure:
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