Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50377544
Substrate
n/a
Meas. Tech.
ChEMBL_479714 (CHEMBL921474)
Ki
17±n/a nM
Citation
 Gillespie, RJ; Cliffe, IA; Dawson, CE; Dourish, CT; Gaur, S; Jordan, AM; Knight, AR; Lerpiniere, J; Misra, A; Pratt, RM; Roffey, J; Stratton, GC; Upton, R; Weiss, SM; Williamson, DS Antagonists of the human adenosine A2A receptor. Part 3: Design and synthesis of pyrazolo[3,4-d]pyrimidines, pyrrolo[2,3-d]pyrimidines and 6-arylpurines. Bioorg Med Chem Lett 18:2924-9 (2008) [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:
BDBM50377544
Synonyms:
CHEMBL407049
Type:
Small organic molecule
Emp. Form.:
C18H17N5O
Mol. Mass.:
319.3605
SMILES:
Nc1nc(-c2ccco2)c2cnn(CCCc3ccccc3)c2n1
Structure:
Search PDB for entries with ligand similarity: