Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50086166
Substrate
n/a
Meas. Tech.
ChEMBL_330276 (CHEMBL853018)
Ki
63.1±n/a nM
Citation
Carotti, A; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Raviña, E; Sanz, F; Segarra, V; Sotelo, E; Stefanachi, A; Vidal, B Design, synthesis, and structure-activity relationships of 1-,3-,8-, and 9-substituted-9-deazaxanthines at the human A2B adenosine receptor. J Med Chem 49:282-99 (2006) [PubMed] Article
More Info.:
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:
BDBM50086166
Synonyms:
CHEMBL275605 | N-Benzyl-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide | N-benzyl-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide
Type:
Small organic molecule
Emp. Form.:
C26H29N5O4
Mol. Mass.:
475.5396
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCc2ccccc2)cc1