Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50458357
Substrate
n/a
Meas. Tech.
ChEMBL_1763186 (CHEMBL4198433)
Ki
872±n/a nM
Citation
 Betti, M; Catarzi, D; Varano, F; Falsini, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Colotta, V The aminopyridine-3,5-dicarbonitrile core for the design of new non-nucleoside-like agonists of the human adenosine A Eur J Med Chem 150:127-139 (2018) [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:
BDBM50458357
Synonyms:
CHEMBL4218989
Type:
Small organic molecule
Emp. Form.:
C19H17N5O2S
Mol. Mass.:
379.436
SMILES:
CC(=C)COc1ccc(cc1)-c1c(C#N)c(N)nc(SCC(N)=O)c1C#N
Structure:
Search PDB for entries with ligand similarity: