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Target
Cholinesterase
Ligand
BDBM50562650
Substrate
n/a
Meas. Tech.
ChEMBL_2079762 (CHEMBL4735553)
IC50
927±n/a nM
Citation
 Toublet, FX; Lalut, J; Hatat, B; Lecoutey, C; Davis, A; Since, M; Corvaisier, S; Freret, T; Sopková-de Oliveira Santos, J; Claeysen, S; Boulouard, M; Dallemagne, P; Rochais, C Pleiotropic prodrugs: Design of a dual butyrylcholinesterase inhibitor and 5-HT Eur J Med Chem 210:0 (2021) [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:
BDBM50562650
Synonyms:
CHEMBL4744490
Type:
Small organic molecule
Emp. Form.:
C21H24FN3O2
Mol. Mass.:
369.4326
SMILES:
CCN(C)C(=O)Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1
Structure:
Search PDB for entries with ligand similarity: