Reaction Details Report a problem with these data
Target
Carboxylic ester hydrolase
Ligand
BDBM203842
Substrate
n/a
Meas. Tech.
AChE and BuChE Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
1.75e+4± 4.2e+3 nM
Comments
extracted
Citation
 Leng, J; Qin, HL; Zhu, K; Jantan, I; Hussain, MA; Sher, M; Amjad, MW; Naeem-Ul-Hassan, M; Ahmad, W; Bukhari, SN Evaluation of multifunctional synthetic tetralone derivatives for treatment of Alzheimer's disease. Chem Biol Drug Des 88:889-898 (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:
BDBM203842
Synonyms:
2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-6-methoxy-tetralone (3o)
Type:
Small organic molecule
Emp. Form.:
C21H21BrO5
Mol. Mass.:
433.292
SMILES:
COc1ccc2C(=O)\C(CCc2c1)=C\c1cc(OC)c(OC)c(OC)c1Br
Structure:
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