Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50092292
Substrate
n/a
Meas. Tech.
ChEMBL_1499919 (CHEMBL3583513)
Ki
520±n/a nM
Citation
 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K One-pot reaction to obtain N,N'-disubstituted guanidines of pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine scaffold as human A3 adenosine receptor antagonists. J Med Chem 58:5355-60 (2015) [PubMed]  Article 
Target
Name:
Adenosine receptor A3
Synonyms:
A3 adenosine receptor (hA3) | AA3R_HUMAN | ADORA3 | Adenosine A3 receptor (A3AR)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36197.32
Organism:
Homo sapiens (Human)
Description:
P0DMS8
Residue:
318
Sequence:
MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
  
Inhibitor
Name:
BDBM50092292
Synonyms:
CHEMBL3581308
Type:
Small organic molecule
Emp. Form.:
C26H17F6N9O
Mol. Mass.:
585.4633
SMILES:
[#6]-n1cc2c(n1)nc(\[#7]=[#6](/[#7]-c1cccc(c1)C(F)(F)F)-[#7]-c1cccc(c1)C(F)(F)F)n1nc(nc21)-c1ccco1
Structure:
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