Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50377471
Substrate
n/a
Meas. Tech.
ChEMBL_479700 (CHEMBL933564)
Ki
3474±n/a nM
Citation
 Gillespie, RJ; Adams, DR; Bebbington, D; Benwell, K; Cliffe, IA; Dawson, CE; Dourish, CT; Fletcher, A; Gaur, S; Giles, PR; Jordan, AM; Knight, AR; Knutsen, LJ; Lawrence, A; Lerpiniere, J; Misra, A; Porter, RH; Pratt, RM; Shepherd, R; Upton, R; Ward, SE; Weiss, SM; Williamson, DS Antagonists of the human adenosine A2A receptor. Part 1: Discovery and synthesis of thieno[3,2-d]pyrimidine-4-methanone derivatives. Bioorg Med Chem Lett 18:2916-9 (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:
BDBM50377471
Synonyms:
CHEMBL411922
Type:
Small organic molecule
Emp. Form.:
C12H6F3N3OS
Mol. Mass.:
297.256
SMILES:
FC(F)(F)c1nc(C(=O)c2ccc[nH]2)c2sccc2n1
Structure:
Search PDB for entries with ligand similarity: