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Target
Acetylcholinesterase
Ligand
BDBM50050569
Substrate
n/a
Meas. Tech.
ChEMBL_1458377 (CHEMBL3369807)
IC50
6200±n/a nM
Citation
 Alza, NP; Richmond, V; Baier, CJ; Freire, E; Baggio, R; Murray, AP Synthesis and cholinesterase inhibition of cativic acid derivatives. Bioorg Med Chem 22:3838-49 (2014) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
3.1.1.7 | ACES_TETCF | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor | ache
Type:
n/a
Mol. Mass.:
65900.74
Organism:
Tetronarce californica (Pacific electric ray) (Torpedo californica)
Description:
P04058
Residue:
586
Sequence:
MNLLVTSSLGVLLHLVVLCQADDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATACDGELSSSGTSSSKGIIFYVLFSILYLIF
  
Inhibitor
Name:
BDBM50050569
Synonyms:
CHEMBL3311548
Type:
Small organic molecule
Emp. Form.:
C28H49NO3
Mol. Mass.:
447.6936
SMILES:
[H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCN3CCCCC3)[C@@]1(C)CCCC2(C)C |r,t:3|
Structure:
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