Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50094695
Substrate
n/a
Meas. Tech.
ChEMBL_587704 (CHEMBL1037718)
Ki
40±n/a nM
Citation
 Michielan, L; Bolcato, C; Federico, S; Cacciari, B; Bacilieri, M; Klotz, KN; Kachler, S; Pastorin, G; Cardin, R; Sperduti, A; Spalluto, G; Moro, S Combining selectivity and affinity predictions using an integrated Support Vector Machine (SVM) approach: An alternative tool to discriminate between the human adenosine A(2A) and A(3) receptor pyrazolo-triazolo-pyrimidine antagonists binding sites. Bioorg Med Chem 17:5259-74 (2009) [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:
BDBM50094695
Synonyms:
1-(2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea | 1-[2-Furan-2-yl-8-(3-methyl-but-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-(4-methoxy-phenyl)-urea | CHEMBL142926
Type:
Small organic molecule
Emp. Form.:
C23H22N8O3
Mol. Mass.:
458.4726
SMILES:
[#6]-[#8]-c1ccc(-[#7]-[#6](=O)-[#7]-c2nc3nn(-[#6]\[#6]=[#6](\[#6])-[#6])cc3c3nc(nn23)-c2ccco2)cc1
Structure:
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