Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50266384
Substrate
n/a
Meas. Tech.
ChEMBL_516364 (CHEMBL987751)
Ki
323±n/a nM
Citation
 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Díaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH N-[6-amino-2-(heteroaryl)pyrimidin-4-yl]acetamides as A2A receptor antagonists with improved drug like properties and in vivo efficacy. J Med Chem 52:709-17 (2009) [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:
BDBM50266384
Synonyms:
CHEMBL456287 | N-[6-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
Type:
Small organic molecule
Emp. Form.:
C20H22N6O
Mol. Mass.:
362.4283
SMILES:
CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCc2ccccc2C1
Structure:
Search PDB for entries with ligand similarity: