Reaction Details Report a problem with these data
Target
Adenosine receptor A2b
Ligand
BDBM551498
Substrate
n/a
Meas. Tech.
Measurement of A2b Binding Affinity
IC50
3.40±n/a nM
Citation
 Larsen, MA; Ali, A; Cumming, J; DeMong, D; Deng, Q; Graham, TH; Hennessy, E; Hoover, AJ; Liu, P; Liu, K; Mansoor, UF; Pan, J; Plummer, CW; Sather, A; Swaminathan, U; Wang, H; Zhang, Y 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use US Patent  US11312719 Publication Date 4/26/2022 
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:
BDBM551498
Synonyms:
3-(4-((2S,5R or 2R,5S)-5-(5-amino-9-fluoro-8-methoxy- [1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1- yl)-1H-pyrazol-1-yl)-2,3-dimethylbutan-2-ol | US11312719, Example 43
Type:
Small organic molecule
Emp. Form.:
C25H33FN8O2
Mol. Mass.:
496.5803
SMILES:
COc1cc2nc(N)n3nc(nc3c2cc1F)C1CCC(C)N(C1)c1cnn(c1)C(C)(C)C(C)(C)O
Structure:
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