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Target
Cholinesterase
Ligand
BDBM50590551
Substrate
n/a
Meas. Tech.
ChEMBL_2197059 (CHEMBL5109575)
IC50
>30000±n/a nM
Citation
 Macedo Vaz, S; de Freitas Silva, M; Dos Reis Rosa Franco, G; Jorge R Guimarães, M; Motta R da Silva, F; Gonçalves Castro, N; Alvim Guedes, I; Dardenne, LE; Amaral Alves, M; Garrett da Costa, R; Beserra Pinheiro, G; Germino Veras, L; Renata Mortari, M; Pruccoli, L; Tarozzi, A; Viegas, C Synthesis and biological evaluation of 4-hydroxy-methylpiperidinyl-N-benzyl-acylarylhydrazone hybrids designed as novel multifunctional drug candidates for Alzheimer's disease. Bioorg Med Chem 71:0 (2022) [PubMed] 
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:
BDBM50590551
Synonyms:
CHEMBL5189995
Type:
Small organic molecule
Emp. Form.:
C22H27N3O3
Mol. Mass.:
381.4681
SMILES:
COc1ccc(\C=N\NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: