Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50542167
Substrate
n/a
Meas. Tech.
ChEMBL_1986034 (CHEMBL4619440)
Ki
8.3±n/a nM
Citation
 Mallo-Abreu, A; Prieto-Díaz, R; Jespers, W; Azuaje, J; Majellaro, M; Velando, C; García-Mera, X; Caamaño, O; Brea, J; Loza, MI; Gutiérrez-de-Terán, H; Sotelo, E Nitrogen-Walk Approach to Explore Bioisosteric Replacements in a Series of Potent A J Med Chem 63:7721-7739 (2020) [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:
BDBM50542167
Synonyms:
CHEMBL4645687
Type:
Small organic molecule
Emp. Form.:
C18H19N5O2
Mol. Mass.:
337.3758
SMILES:
CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cn[nH]c1 |c:6|
Structure:
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