Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50021000
Substrate
n/a
Meas. Tech.
ChEMBL_28965 (CHEMBL640605)
IC50
2±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:
BDBM50021000
Synonyms:
1-Allyl-8-(2-amino-4-chloro-phenyl)-3-methyl-3,7-dihydro-purine-2,6-dione | CHEMBL276603
Type:
Small organic molecule
Emp. Form.:
C15H14ClN5O2
Mol. Mass.:
331.757
SMILES:
Cn1c2nc([nH]c2c(=O)n(CC=C)c1=O)-c1ccc(Cl)cc1N
Structure:
Search PDB for entries with ligand similarity: