Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50179031
Substrate
n/a
Meas. Tech.
ChEMBL_29153 (CHEMBL639433)
Ki
4790±n/a nM
Citation
 Baraldi, PG; Cacciari, B; Pineda de Las Infantas, MJ; Romagnoli, R; Spalluto, G; Volpini, R; Costanzi, S; Vittori, S; Cristalli, G; Melman, N; Park, KS; Ji, XD; Jacobson, KA Synthesis and biological activity of a new series of N6-arylcarbamoyl, 2-(Ar)alkynyl-N6-arylcarbamoyl, and N6-carboxamido derivatives of adenosine-5'-N-ethyluronamide as A1 and A3 adenosine receptor agonists. J Med Chem 41:3174-85 (1998) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
AA1R_RAT | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | Adenosine A1 receptor (A1) | Adenosine receptor | Adenosine receptors A1 | Adora1
Type:
Protein
Mol. Mass.:
36704.13
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
326
Sequence:
MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
  
Inhibitor
Name:
BDBM50179031
Synonyms:
1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-2-(2-phenylethynyl)-9H-purin-6-yl)-3-(4-methoxyphenyl)urea | CHEMBL204190
Type:
Small organic molecule
Emp. Form.:
C28H27N7O6
Mol. Mass.:
557.5573
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#Cc1ccccc1
Structure:
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