Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50263204
Substrate
n/a
Meas. Tech.
ChEBML_1697706
EC50
1413±n/a nM
Citation
 Aurelio, L; Baltos, JA; Ford, L; Nguyen, ATN; Jörg, M; Devine, SM; Valant, C; White, PJ; Christopoulos, A; May, LT; Scammells, PJ A Structure-Activity Relationship Study of Bitopic N J Med Chem 61:2087-2103 (2018) [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:
BDBM50263204
Synonyms:
CHEMBL4085418
Type:
Small organic molecule
Emp. Form.:
C43H43F3N8O6S
Mol. Mass.:
856.912
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=O)c3ccc(cc3)-c3sc(N)c(C(=O)c4ccccc4)c3-c3cccc(c3)C(F)(F)F)ncnc12 |r|
Structure:
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