Reaction Details  Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50536285
Substrate
n/a
Meas. Tech.
ChEMBL_1933634 (CHEMBL4479286)
IC50
60230±n/a nM
Citation
 Li, JC; Zhang, J; Rodrigues, MC; Ding, DJ; Longo, JP; Azevedo, RB; Muehlmann, LA; Jiang, CS Synthesis and evaluation of novel 1,2,3-triazole-based acetylcholinesterase inhibitors with neuroprotective activity. Bioorg Med Chem Lett 26:3881-5 (2016) [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:
BDBM50536285
Synonyms:
CHEMBL4521556
Type:
Small organic molecule
Emp. Form.:
C24H26F3N5O3
Mol. Mass.:
489.4901
SMILES:
Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(OC(F)(F)F)cc2)nn1
Structure:
Search PDB for entries with ligand similarity: