Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50422387
Substrate
n/a
Meas. Tech.
ChEMBL_1739706 (CHEMBL4155456)
Ki
90±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:
BDBM50422387
Synonyms:
CHEMBL4159171
Type:
Small organic molecule
Emp. Form.:
C26H27ClN2
Mol. Mass.:
402.959
SMILES:
[Cl-].Cc1ccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)cc1
Structure:
Search PDB for entries with ligand similarity: