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Target
Carboxylic ester hydrolase
Ligand
BDBM227585
Substrate
n/a
Meas. Tech.
In Vitro AChE/BChE Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
4.76±0.58 nM
Comments
extracted
Citation
 Czarnecka, K; Szymanski, P; Girek, M; Mikiciuk-Olasik, E; Skibinski, R; Kabzinski, J; Majsterek, I; Malawska, B; Jonczyk, J; Bajda, M Tetrahydroacridine derivatives with fluorobenzoic acid moiety as multifunctional agents for Alzheimer's disease treatment. Bioorg Chem 72:315-322 (2017) [PubMed]  Article
Target
Name:
Carboxylic ester hydrolase
Synonyms:
BuChE | Butyrlcholinesterase (BuChE) | Butyrylcholine esterase | Butyrylcholinesterase | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | Butyrylcholinesterase (EqBuChE) | Carboxylic ester hydrolase | butyrylcholinesterase precursor
Type:
Protein
Mol. Mass.:
68842.83
Organism:
Equus caballus (Horse)
Description:
Q9N1N9
Residue:
602
Sequence:
MQSWGTIICIRILLRFLLLWVLIGNSHTEEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTKKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTKAEEILSRSIMKRWANFAKYGNPNGTQSNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM227585
Synonyms:
3-Fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide hydrochloride (3d)
Type:
Small organic molecule
Emp. Form.:
C22H22FN3O
Mol. Mass.:
363.428
SMILES:
Fc1cccc(c1)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Structure:
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