Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50237546
Substrate
n/a
Meas. Tech.
ChEMBL_1662072 (CHEMBL4011753)
IC50
2200±n/a nM
Citation
 Sang, Z; Pan, W; Wang, K; Ma, Q; Yu, L; Yang, Y; Bai, P; Leng, C; Xu, Q; Li, X; Tan, Z; Liu, W Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem 130:379-392 (2017) [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:
BDBM50237546
Synonyms:
CHEMBL4098346
Type:
Small organic molecule
Emp. Form.:
C39H51N3O3
Mol. Mass.:
609.8405
SMILES:
COc1cc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OCCCCCCN1CCN(Cc2ccccc2)CC1
Structure:
Search PDB for entries with ligand similarity: