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Target
Cholinesterase
Ligand
BDBM50278983
Substrate
n/a
Meas. Tech.
ChEMBL_1720305 (CHEMBL4135305)
IC50
5270±n/a nM
Citation
 Pandolfi, F; De Vita, D; Bortolami, M; Coluccia, A; Di Santo, R; Costi, R; Andrisano, V; Alabiso, F; Bergamini, C; Fato, R; Bartolini, M; Scipione, L New pyridine derivatives as inhibitors of acetylcholinesterase and amyloid aggregation. Eur J Med Chem 141:197-210 (2017) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase
Type:
Homotetramer
Mol. Mass.:
68422.27
Organism:
Homo sapiens (Human)
Description:
P06276
Residue:
602
Sequence:
MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCVGL
  
Inhibitor
Name:
BDBM50278983
Synonyms:
CHEMBL4172510
Type:
Small organic molecule
Emp. Form.:
C18H22BrN3O2
Mol. Mass.:
392.29
SMILES:
Brc1cnccc1NC(=O)OCCCCCNCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: