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Target
Acetylcholinesterase
Ligand
BDBM50022775
Substrate
n/a
Meas. Tech.
In Vitro Assay
pH
7.4±n/a
IC50
100±20 nM
Comments
extracted
Citation
 Musilek, K; Pavlikova, R; Marek, J; Komloova, M; Holas, O; Hrabinova, M; Pohanka, M; Dohnal, V; Dolezal, M; Gunn-Moore, F; Kuca, K The preparation, in vitro screening and molecular docking of symmetrical bisquaternary cholinesterase inhibitors containing a but-(2E)-en-1,4-diyl connecting linkage. J Enzyme Inhib Med Chem 26:245-53 (2011) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50022775
Synonyms:
(m-Hydroxyphenyl)trimethylammonium dimethylcarbamate | 3-Trimethylammoniumphenyl N,N-dimethylcarbamate | 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium | CHEMBL211471 | CHEMBL278020 | Eustigmin | Eustigmine | NEOSTIGMINE | Neostigmine (2) | Prostigmine | Vagostigmine | m-Trimethylammoniumphenyldimethylcarbamate
Type:
Small organic molecule
Emp. Form.:
C12H19N2O2
Mol. Mass.:
223.2909
SMILES:
CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Structure:
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