Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50105109
Substrate
n/a
Meas. Tech.
ChEMBL_31555 (CHEMBL644506)
IC50
3480±n/a nM
Citation
 Poulain, R; Horvath, D; Bonnet, B; Eckhoff, C; Chapelain, B; Bodinier, MC; Déprez, B From hit to lead. Analyzing structure-profile relationships. J Med Chem 44:3391-401 (2001) [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:
BDBM50105109
Synonyms:
4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazine-1-carboxylic acid 2-(4-cyano-phenyl)-ethyl ester | CHEMBL326263
Type:
Small organic molecule
Emp. Form.:
C30H31F2N3O2
Mol. Mass.:
503.5828
SMILES:
Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: