Reaction Details Report a problem with these data
Target
Adenosine receptor A2b
Ligand
BDBM561419
Substrate
n/a
Meas. Tech.
Adenosine A2B Receptor Cyclic AMP GS Assay
EC50
<10±n/a nM
Citation
 Huang, T; Wang, X Pyrazolopyridines and triazolopyridines as A2A / A2B inhibitors US Patent  US11390624 Publication Date 7/19/2022 
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:
BDBM561419
Synonyms:
3-(4-amino-2-((3-fluoropyridin-2-yl)methyl)-7-(1-isopropyl-1H-pyrazol-5-yl)-2H-[1,2,3]triazolo[4,5-c]pyridin-6-yl)benzonitrile | US11390624, Example 34
Type:
Small organic molecule
Emp. Form.:
C24H20FN9
Mol. Mass.:
453.4743
SMILES:
CC(C)n1nccc1-c1c(nc(N)c2nn(Cc3ncccc3F)nc12)-c1cccc(c1)C#N |(2.87,.82,;2.55,2.32,;3.69,3.35,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;5.08,1.48,;5.85,2.82,;7.39,2.82,;8.16,1.48,;7.39,.15,;8.16,-1.18,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-4.16,-.41,;-6.83,-.41,;-8.16,-1.18,)|
Structure:
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