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Target
Cholinesterase
Ligand
BDBM50604188
Substrate
n/a
Meas. Tech.
ChEMBL_2247137 (CHEMBL5161347)
IC50
947±n/a nM
Citation
 Codony, S; Pont, C; Griñán-Ferré, C; Di Pede-Mattatelli, A; Calvó-Tusell, C; Feixas, F; Osuna, S; Jarné-Ferrer, J; Naldi, M; Bartolini, M; Loza, MI; Brea, J; Pérez, B; Bartra, C; Sanfeliu, C; Juárez-Jiménez, J; Morisseau, C; Hammock, BD; Pallàs, M; Vázquez, S; Muñoz-Torrero, D Discovery and In Vivo Proof of Concept of a Highly Potent Dual Inhibitor of Soluble Epoxide Hydrolase and Acetylcholinesterase for the Treatment of Alzheimer's Disease. J Med Chem 65:4909-4925 (2022) [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:
BDBM50604188
Synonyms:
CHEMBL5204900
Type:
Small organic molecule
Emp. Form.:
C29H31ClF3N5O3
Mol. Mass.:
590.036
SMILES:
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)CCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1
Structure:
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