Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50562841
Substrate
n/a
Meas. Tech.
ChEMBL_2080733 (CHEMBL4736524)
IC50
590±n/a nM
Citation
 Zhang, Z; Guo, J; Cheng, M; Zhou, W; Wan, Y; Wang, R; Fang, Y; Jin, Y; Liu, J; Xie, SS Design, synthesis, and biological evaluation of novel xanthone-alkylbenzylamine hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem 213:0 (2021) [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:
BDBM50562841
Synonyms:
CHEMBL4752063
Type:
Small organic molecule
Emp. Form.:
C27H29NO5
Mol. Mass.:
447.5229
SMILES:
CN(CCCCCCOc1cc(O)c2c(c1)oc1ccccc1c2=O)Cc1ccc(O)cc1
Structure:
Search PDB for entries with ligand similarity: