Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50149370
Substrate
n/a
Meas. Tech.
ChEMBL_304034 (CHEMBL840212)
Ki
4330000±n/a nM
Citation
 Bhattacharya, P; Roy, K QSAR of adenosine A3 receptor antagonist 1,2,4-triazolo[4,3-a]quinoxalin-1-one derivatives using chemometric tools. Bioorg Med Chem Lett 15:3737-43 (2005) [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:
BDBM50149370
Synonyms:
4-Amino-2-(4-methoxy-phenyl)-6-nitro-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one | 4-amino-2-(4-methoxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one | CHEMBL120714
Type:
Small organic molecule
Emp. Form.:
C16H12N6O4
Mol. Mass.:
352.3043
SMILES:
COc1ccc(cc1)-n1nc2c(N)nc3c(cccc3n2c1=O)[N+]([O-])=O
Structure:
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