Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50317890
Substrate
n/a
Meas. Tech.
ChEMBL_630177 (CHEMBL1117280)
Ki
105±n/a nM
Citation
 Devine, SM; Gregg, A; Figler, H; McIntosh, K; Urmaliya, V; Linden, J; Pouton, CW; White, PJ; Bottle, SE; Scammells, PJ Synthesis and evaluation of new N6-substituted adenosine-5'-N-methylcarboxamides as A3 adenosine receptor agonists. Bioorg Med Chem 18:3078-87 (2010) [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:
BDBM50317890
Synonyms:
CHEMBL1094998 | N6-[4-[2-[3,5-Di-tert-butyl-4-hydroxybenzamido]ethyl]benzyl]adenosine-5'-N-methylcarboxamide
Type:
Small organic molecule
Emp. Form.:
C34H43N7O6
Mol. Mass.:
645.7485
SMILES:
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(CNC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: