Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50422395
Substrate
n/a
Meas. Tech.
ChEMBL_1739705 (CHEMBL4155455)
IC50
12160±n/a nM
Citation
 Ghobadian, R; Mahdavi, M; Nadri, H; Moradi, A; Edraki, N; Akbarzadeh, T; Sharifzadeh, M; Bukhari, SNA; Amini, M Novel tetrahydrocarbazole benzyl pyridine hybrids as potent and selective butryl cholinesterase inhibitors with neuroprotective and ?-secretase inhibition activities. Eur J Med Chem 155:49-60 (2018) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase
Type:
Enzyme
Mol. Mass.:
65643.35
Organism:
Equus caballus (Horse)
Description:
P81908
Residue:
574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM50422395
Synonyms:
CHEMBL4174316
Type:
Small organic molecule
Emp. Form.:
C23H18BrFN2O3
Mol. Mass.:
469.303
SMILES:
[Br-].Fc1cccc(C[n+]2ccc(CNC(=O)c3cc4ccccc4oc3=O)cc2)c1
Structure:
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