Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50007846
Substrate
n/a
Meas. Tech.
ChEBML_27567
Ki
85.0±n/a nM
Citation
 Katsushima, T; Nieves, L; Wells, JN Structure-activity relationships of 8-cycloalkyl-1,3-dipropylxanthines as antagonists of adenosine receptors. J Med Chem 33:1906-10 (1990) [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:
Homo sapiens (Human)
Description:
P30542
Residue:
326
Sequence:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
  
Inhibitor
Name:
BDBM50007846
Synonyms:
4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid propylamide | CHEMBL292661
Type:
Small organic molecule
Emp. Form.:
C21H33N5O3
Mol. Mass.:
403.5184
SMILES:
CCCNC(=O)C1CCC(CC1)c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1 |(21.57,-12.45,;20.04,-12.45,;19.27,-11.12,;17.74,-11.12,;16.97,-9.79,;17.74,-8.46,;15.43,-9.79,;14.67,-11.12,;13.13,-11.12,;12.37,-9.79,;13.13,-8.46,;14.67,-8.46,;10.83,-9.79,;9.84,-11.18,;8.22,-10.65,;6.74,-11.49,;6.74,-13.19,;5.29,-14.04,;5.29,-15.74,;5.28,-10.65,;3.77,-11.53,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;6.74,-8.08,;6.74,-6.38,;8.22,-8.94,;9.84,-8.41,)|
Structure:
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