Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50176769
Substrate
n/a
Meas. Tech.
ChEMBL_327526 (CHEMBL871364)
Ki
490±n/a nM
Citation
Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J Novel 1,3-dipropyl-8-(1-heteroarylmethyl-1H-pyrazol-4-yl)-xanthine derivatives as high affinity and selective A2B adenosine receptor antagonists. Bioorg Med Chem Lett 16:302-6 (2005) [PubMed] Article
More Info.:
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:
BDBM50176769
Synonyms:
8-(1-((3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione | CHEMBL200370
Type:
Small organic molecule
Emp. Form.:
C23H23ClN8O3
Mol. Mass.:
494.934
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2Cl)c1