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Target
Carboxylic ester hydrolase
Ligand
BDBM8981
Substrate
BDBM8978
Meas. Tech.
AChE/BuChE Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
19200±134 nM
Citation
 Shao, D; Zou, C; Luo, C; Tang, X; Li, Y Synthesis and evaluation of tacrine-E2020 hybrids as acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett 14:4639-42 (2004) [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:
BDBM8981
Synonyms:
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[(3,4-dimethoxyphenyl)formamido]acetamide | tacrine-E2020 analog 5
Type:
Small organic molecule
Emp. Form.:
C25H33N3O4
Mol. Mass.:
439.5472
SMILES:
COc1ccc(cc1OC)C(=O)NCC(=O)NCCC1CCN(Cc2ccccc2)CC1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM8978
Synonyms:
(Propylcarbonylthioethyl)trimethylammonium iodide | CHEMBL139908 | CHEMBL148530 | [2-(butanoylsulfanyl)ethyl]trimethylazanium iodide | butyrylthiocholine | butyrylthiocholine chloride
Type:
Small organic molecule
Emp. Form.:
C9H20NOS
Mol. Mass.:
190.326
SMILES:
CCCC(=O)SCC[N+](C)(C)C
Structure:
Search PDB for entries with ligand similarity: