Reaction Details  Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50322846
Substrate
n/a
Meas. Tech.
ChEMBL_644537 (CHEMBL1211414)
Ki
522±n/a nM
Citation
 Cheng, F; Xu, Z; Liu, G; Tang, Y Insights into binding modes of adenosine A(2B) antagonists with ligand-based and receptor-based methods. Eur J Med Chem 45:3459-71 (2010) [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:
BDBM50322846
Synonyms:
3-ethyl-1-propyl-8-(1-((pyridin-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione | 3-ethyl-1-propyl-8-(1-(pyridin-3-yl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione | CHEMBL261526
Type:
Small organic molecule
Emp. Form.:
C18H19N7O2
Mol. Mass.:
365.3892
SMILES:
CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(c1)-c1cccnc1
Structure:
Search PDB for entries with ligand similarity: