Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50116877
Substrate
n/a
Meas. Tech.
ChEMBL_1515681 (CHEMBL3616295)
Ki
2440±n/a nM
Citation
 Tosh, DK; Crane, S; Chen, Z; Paoletta, S; Gao, ZG; Gizewski, E; Auchampach, JA; Salvemini, D; Jacobson, KA Rigidified A3 Adenosine Receptor Agonists: 1-Deazaadenine Modification Maintains High in Vivo Efficacy. ACS Med Chem Lett 6:804-8 (2015) [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:
BDBM50116877
Synonyms:
CHEMBL3612941
Type:
Small organic molecule
Emp. Form.:
C23H24ClN5O3S
Mol. Mass.:
485.986
SMILES:
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCC)cc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
Structure:
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