Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50163877
Substrate
n/a
Meas. Tech.
ChEBML_1573811
Ki
796±n/a nM
Citation
 Tosh, DK; Ciancetta, A; Warnick, E; O'Connor, R; Chen, Z; Gizewski, E; Crane, S; Gao, ZG; Auchampach, JA; Salvemini, D; Jacobson, KA Purine (N)-Methanocarba Nucleoside Derivatives Lacking an Exocyclic Amine as Selective A3 Adenosine Receptor Agonists. J Med Chem 59:3249-63 (2016) [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:
BDBM50163877
Synonyms:
CHEMBL3799847
Type:
Small organic molecule
Emp. Form.:
C20H18ClN5O4S
Mol. Mass.:
459.906
SMILES:
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(OC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
Structure:
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