Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50080550
Substrate
n/a
Meas. Tech.
ChEMBL_1438093 (CHEMBL3387894)
Kd
0.750000±n/a nM
Citation
Romagnoli, R; Baraldi, PG; IJzerman, AP; Massink, A; Cruz-Lopez, O; Lopez-Cara, LC; Saponaro, G; Preti, D; Aghazadeh Tabrizi, M; Baraldi, S; Moorman, AR; Vincenzi, F; Borea, PA; Varani, K Synthesis and biological evaluation of novel allosteric enhancers of the A1 adenosine receptor based on 2-amino-3-(4'-chlorobenzoyl)-4-substituted-5-arylethynyl thiophene. J Med Chem 57:7673-86 (2014) [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:
BDBM50080550
Synonyms:
(2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluoromethyl-phenyl)-methanone | (2-amino-4,5-dimethyl-3-thienyl)-[3-(trifluoromethyl)phenyl]methanone | (2-amino-4,5-dimethylthien-3-yl)-[3-(trifluoromethyl)phenyl]-methanone | (2-amino-4,5-dimethylthiophen-3-yl)(3-(trifluoromethyl)phenyl)methanone | CHEMBL59532 | PD-81723
Type:
Small organic molecule
Emp. Form.:
C14H12F3NOS
Mol. Mass.:
299.311
SMILES:
Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C