Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50225885
Substrate
n/a
Meas. Tech.
ChEMBL_451676 (CHEMBL901889)
IC50
5.3±n/a nM
Citation
 Ashton, TD; Aumann, KM; Baker, SP; Schiesser, CH; Scammells, PJ Structure-activity relationships of adenosines with heterocyclic N6-substituents. Bioorg Med Chem Lett 17:6779-84 (2007) [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:
BDBM50225885
Synonyms:
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-tetrahydrothiophen-3-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol | CHEMBL391029
Type:
Small organic molecule
Emp. Form.:
C14H19N5O4S
Mol. Mass.:
353.397
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCSC3)ncnc12
Structure:
Search PDB for entries with ligand similarity: