Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50014260
Substrate
n/a
Meas. Tech.
ChEMBL_2263933
Ki
105000±n/a nM
Citation
 Faudone, G; Arifi, S; Merk, D The Medicinal Chemistry of Caffeine. J Med Chem 64:7156-7178 (2021) [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:
Human
Description:
P30542
Residue:
326
Sequence:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
  
Inhibitor
Name:
BDBM50014260
Synonyms:
3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione | 3,7-dimethylpurine-2,6-dione | 3,7-dimethylxanthine | CHEMBL1114 | Theobromin | theobromine
Type:
Small organic molecule
Emp. Form.:
C7H8N4O2
Mol. Mass.:
180.164
SMILES:
Cn1cnc2n(C)c(=O)[nH]c(=O)c12
Structure:
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