Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50045339
Substrate
n/a
Meas. Tech.
ChEBML_29016
Ki
2900±n/a nM
Citation
 Jacobson, KA; Shi, D; Gallo-Rodriguez, C; Manning, M; Müller, C; Daly, JW; Neumeyer, JL; Kiriasis, L; Pfleiderer, W Effect of trifluoromethyl and other substituents on activity of xanthines at adenosine receptors. J Med Chem 36:2639-44 (1993) [PubMed]  Article 
Target
Name:
Adenosine receptor A1
Synonyms:
AA1R_RAT | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | Adenosine A1 receptor (A1) | Adenosine receptor | Adenosine receptors A1 | Adora1
Type:
Protein
Mol. Mass.:
36704.13
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
326
Sequence:
MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
  
Inhibitor
Name:
BDBM50045339
Synonyms:
7-Allyl-1,3-dipropyl-8-(4-trifluoromethyl-phenyl)-3,7-dihydro-purine-2,6-dione | CHEMBL313543
Type:
Small organic molecule
Emp. Form.:
C21H23F3N4O2
Mol. Mass.:
420.4281
SMILES:
CCCn1c2nc(-c3ccc(cc3)C(F)(F)F)n(CC=C)c2c(=O)n(CCC)c1=O
Structure:
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