Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50095784
Substrate
n/a
Meas. Tech.
ChEMBL_27568 (CHEMBL637242)
Ki
29±n/a nM
Citation
 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S 2-Alkynyl-8-aryl-9-methyladenines as novel adenosine receptor antagonists: their synthesis and structure-activity relationships toward hepatic glucose production induced via agonism of the A(2B) receptor. J Med Chem 44:170-9 (2001) [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:
BDBM50095784
Synonyms:
1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-yl]-3-ethyl-pent-1-yn-3-ol | CHEMBL51192
Type:
Small organic molecule
Emp. Form.:
C19H20FN5O
Mol. Mass.:
353.3934
SMILES:
CCC(O)(CC)C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1
Structure:
Search PDB for entries with ligand similarity: