Reaction Details Report a problem with these data
Target
Carboxylic ester hydrolase
Ligand
BDBM192689
Substrate
n/a
Meas. Tech.
AChE and BChE Inhibition Assay
pH
8±n/a
IC50
>1.00e+5±n/a nM
Comments
extracted
Citation
 Najafi, Z; Saeedi, M; Mahdavi, M; Sabourian, R; Khanavi, M; Tehrani, MB; Moghadam, FH; Edraki, N; Karimpor-Razkenari, E; Sharifzadeh, M; Foroumadi, A; Shafiee, A; Akbarzadeh, T Design and synthesis of novel anti-Alzheimer's agents: Acridine-chromenone and quinoline-chromenone hybrids. Bioorg Chem 67:84-94 (2016) [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:
BDBM192689
Synonyms:
7-(4-((7-Chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino)phenoxy)-4-methyl-2H-chromen-2-one (8f)
Type:
Small organic molecule
Emp. Form.:
C28H21ClN2O3
Mol. Mass.:
468.931
SMILES:
Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCc5nc5ccc(Cl)cc45)cc3)ccc12
Structure:
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