Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50047917
Substrate
n/a
Meas. Tech.
ChEMBL_1451988 (CHEMBL3363690)
Ki
124±n/a nM
Citation
 Tosh, DK; Paoletta, S; Chen, Z; Moss, SM; Gao, ZG; Salvemini, D; Jacobson, KA Extended N(6) substitution of rigid C2-arylethynyl nucleosides for exploring the role of extracellular loops in ligand recognition at the A3 adenosine receptor. Bioorg Med Chem Lett 24:3302-6 (2014) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
A1 adenosine receptor (hA1) | A1AR | AA1R_HUMAN | ADENOSINE A1 | ADORA1 | Adenosine A1 receptor (A1AR) | Adenosine A1-receptor | Adenosine receptor A1 (A1) | Adenosine receptor A1 (hA1) | Adenosine transporter (AdT)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36520.92
Organism:
Homo sapiens (Human)
Description:
P30542
Residue:
326
Sequence:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
  
Inhibitor
Name:
BDBM50047917
Synonyms:
CHEMBL3311282
Type:
Small organic molecule
Emp. Form.:
C27H25N5O4
Mol. Mass.:
483.5185
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3c3ccccc3)nc(nc12)C#Cc1ccccc1 |r|
Structure:
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