Reaction Details Report a problem with these data
Target
Carboxylic ester hydrolase
Ligand
BDBM50248879
Substrate
n/a
Meas. Tech.
ChEMBL_543687 (CHEMBL1015166)
IC50
70400±n/a nM
Citation
 Sheng, R; Xu, Y; Hu, C; Zhang, J; Lin, X; Li, J; Yang, B; He, Q; Hu, Y Design, synthesis and AChE inhibitory activity of indanone and aurone derivatives. Eur J Med Chem 44:7-17 (2008) [PubMed]  Article 
Target
Name:
Carboxylic ester hydrolase
Synonyms:
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | BuChE | Butyrylcholinesterase (BuChE) | butyrylcholinesterase precursor
Type:
Enzyme
Mol. Mass.:
67776.22
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
597
Sequence:
MVTEIHFLLWILLLCMLFGKSHTEEDVIITTKTGRVRGLSMPILGGTVTAFLGIPYAQPPLGSLRFKKPQPLNKWPDVYNATKYANSCYQNIDQAFPGFQGSEMWNPNTNLSEDCLYLNVWIPVPKPKNATVMVWVYGGGFQTGTSSLPVYDGKFLTRVERVIVVSMNYRVGALGFLAFPGNSEAPGNMGLFDQQLALQWIQRNIAAFGGNPKSVTLFGESAGAASVSLHLLCPQSYPLFTRAILESGSSNAPWAVKHPEEARNRTLTLAKFIGCSKENEKEIITCLRSKDPQEILLNEKLVLPSDSIRSINFGPTVDGDFLTDMPHTLLQLGKVKTAQILVGVNKDEGTAFLVYGAPGFSKDNDSLITRREFQEGLNMYFPGVSSLGKEAILFYYVDWLGDQTPEVYREAFDDIIGDYNIICPALEFTKKFAELEINAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEIFSRSIMKTWANFAKYGHPNGTQGNSTVWPVFTSTEQKYLTLNTEKSKINSKLRAPQCQFWRLFFPKVLEITGDIDEREQEWKAGFHRWSNYMMDWKNQFNDYTSKKETCTDL
  
Inhibitor
Name:
BDBM50248879
Synonyms:
5,6-Dimethoxy-2-{3-[(piperidin-1-yl)methyl]-benzylidene}-2,3-dihydroinden-1-one | CHEMBL472776
Type:
Small organic molecule
Emp. Form.:
C24H29NO3
Mol. Mass.:
379.492
SMILES:
COc1cc2CC(Cc3cccc(CN4CCCCC4)c3)C(=O)c2cc1OC
Structure:
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