Reaction Details  Report a problem with these data
Target
Adenosine receptor A1
Ligand
BDBM50048468
Substrate
n/a
Meas. Tech.
ChEMBL_29477 (CHEMBL640470)
Ki
17000±n/a nM
Citation
 van Rhee, AM; Siddiqi, SM; Melman, N; Shi, D; Padgett, WL; Daly, JW; Jacobson, KA Tetrahydrobenzothiophenone derivatives as a novel class of adenosine receptor antagonists. J Med Chem 39:398-406 (1996) [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:
BDBM50048468
Synonyms:
2-(4-Hydroxy-3-methoxy-phenyl)-5-(3-hydroxy-propyl)-7-methoxy-benzofuran-3-carbaldehyde | 5-(3-hydroxy-propyl)-7-methoxy-2-(3'-methoxy-4'-hydroxy-phenyl)-3-benzo[b]furanecarbaldehyde | CHEMBL42639
Type:
Small organic molecule
Emp. Form.:
C20H20O6
Mol. Mass.:
356.3692
SMILES:
COc1cc(ccc1O)-c1oc2c(OC)cc(CCCO)cc2c1C=O
Structure:
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