Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50018157
Substrate
n/a
Meas. Tech.
ChEMBL_28965 (CHEMBL640605)
IC50
2.5±n/a nM
Citation
 Hamilton, HW; Ortwine, DF; Worth, DF; Badger, EW; Bristol, JA; Bruns, RF; Haleen, SJ; Steffen, RP Synthesis of xanthines as adenosine antagonists, a practical quantitative structure-activity relationship application. J Med Chem 28:1071-9 (1985) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
AA1R_BOVIN | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | ADORA1 | Adenosine A1 receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
36602.99
Organism:
BOVINE
Description:
ADENOSINE 0 BOVINE::P28190
Residue:
326
Sequence:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
  
Inhibitor
Name:
BDBM50018157
Synonyms:
1-Methyl-8-phenyl-3,7-dihydro-purine-2,6-dione | CHEMBL9069
Type:
Small organic molecule
Emp. Form.:
C12H10N4O2
Mol. Mass.:
242.2334
SMILES:
Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: