Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50341186
Substrate
n/a
Meas. Tech.
ChEMBL_740587 (CHEMBL1764850)
Ki
2±n/a nM
Citation
 Firooznia, F; Cheung, AW; Brinkman, J; Grimsby, J; Gubler, ML; Hamid, R; Marcopulos, N; Ramsey, G; Tan, J; Wen, Y; Sarabu, R Discovery of benzothiazole-based adenosine A2B receptor antagonists with improved A2A selectivity. Bioorg Med Chem Lett 21:1933-6 (2011) [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:
BDBM50341186
Synonyms:
CHEMBL1760892 | N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-1-(3-(trifluoromethyl)benzoyl)piperidine-4-carboxamide
Type:
Small organic molecule
Emp. Form.:
C26H27F3N4O4S
Mol. Mass.:
548.577
SMILES:
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(CC3)C(=O)c3cccc(c3)C(F)(F)F)sc12
Structure:
Search PDB for entries with ligand similarity: