Reaction Details Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50084860
Substrate
n/a
Meas. Tech.
ChEMBL_852594 (CHEMBL2156705)
Ki
900±n/a nM
Citation
Drabczynska, A; Yuzlenko, O; Köse, M; Paskaleva, M; Schiedel, AC; Karolak-Wojciechowska, J; Handzlik, J; Karcz, T; Kuder, K; Müller, CE; Kiec-Kononowicz, K Synthesis and biological activity of tricyclic cycloalkylimidazo-, pyrimido- and diazepinopurinediones. Eur J Med Chem 46:3590-607 (2011) [PubMed] Article
More Info.:
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:
BDBM50084860
Synonyms:
3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl]-7-methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione(MSX-2) | CHEMBL413079
Type:
Small organic molecule
Emp. Form.:
C21H22N4O4
Mol. Mass.:
394.4238
SMILES:
COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1