Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50080550
Substrate
n/a
Meas. Tech.
ChEMBL_795269 (CHEMBL1937029)
Ki
11000±n/a nM
Citation
 Romagnoli, R; Baraldi, PG; Carrion, MD; Cara, CL; Cruz-Lopez, O; Salvador, MK; Preti, D; Tabrizi, MA; Shryock, JC; Moorman, AR; Vincenzi, F; Varani, K; Borea, PA Structure-activity relationships of 2-amino-3-aroyl-4-[(4-arylpiperazin-1-yl)methyl]thiophenes. Part 2: Probing the influence of diverse substituents at the phenyl of the arylpiperazine moiety on allosteric enhancer activity at the A¿? adenosine receptor. Bioorg Med Chem 20:996-1007 (2012) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
AA1R_RAT | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | Adenosine A1 receptor (A1) | Adenosine receptor | Adenosine receptors A1 | Adora1
Type:
Protein
Mol. Mass.:
36704.13
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
326
Sequence:
MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
  
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
Structure:
Search PDB for entries with ligand similarity: