Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50018398
Substrate
n/a
Meas. Tech.
ChEMBL_29630 (CHEMBL873035)
Ki
8.9±n/a nM
Citation
 Jacobson, KA; Kiriasis, L; Barone, S; Bradbury, BJ; Kammula, U; Campagne, JM; Secunda, S; Daly, JW; Neumeyer, JL; Pfleiderer, W Sulfur-containing 1,3-dialkylxanthine derivatives as selective antagonists at A1-adenosine receptors. J Med Chem 32:1873-9 (1989) [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:
Rat
Description:
n/a
Residue:
326
Sequence:
MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
  
Inhibitor
Name:
BDBM50018398
Synonyms:
CHEMBL55340 | [5-Amino-5-(2-{2-[4-(6-oxo-1,3-dipropyl-2-thioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-ethylcarbamoyl)-pentyl]-carbamic acid benzyl ester; TFA
Type:
Small organic molecule
Emp. Form.:
C35H46N8O6S
Mol. Mass.:
706.855
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(=O)NCCNC(=O)C(N)CCCCNC(=O)OCc2ccccc2)cc1
Structure:
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