Reaction Details Report a problem with these data
Target
Carboxylic ester hydrolase
Ligand
BDBM227583
Substrate
n/a
Meas. Tech.
In Vitro AChE/BChE Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
7.8±0.8 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:
BDBM227583
Synonyms:
2-Fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide hydrochloride (3b)
Type:
Small organic molecule
Emp. Form.:
C23H24FN3O
Mol. Mass.:
377.4546
SMILES:
Fc1ccccc1C(=O)NCCCNc1c2CCCCc2nc2ccccc12
Structure:
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