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Target
Cholinesterase
Ligand
BDBM9063
Substrate
BDBM8978
Meas. Tech.
Cholinesterase Inhibition Assay
IC50
0.6±n/a nM
Citation
 Alonso, D; Dorronsoro, I; Rubio, L; Munoz, P; Garcia-Palomero, E; Del Monte, M; Bidon-Chanal, A; Orozco, M; Luque, FJ; Castro, A; Medina, M; Martinez, A Donepezil-tacrine hybrid related derivatives as new dual binding site inhibitors of AChE. Bioorg Med Chem 13:6588-97 (2005) [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:
BDBM9063
Synonyms:
5,6-Dimethoxy-2-{[7-(1,2,3,4-tetrahydro-acridin-9-ylamino)-heptylamino]-methyl}-indan-1-one | 5,6-dimethoxy-2-({[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]amino}methyl)-2,3-dihydro-1H-inden-1-one | CHEMBL484306 | Donepezil-tacrine hybrid 8
Type:
Small organic molecule
Emp. Form.:
C32H41N3O3
Mol. Mass.:
515.6862
SMILES:
COc1cc2CC(CNCCCCCCCNc3c4CCCCc4nc4ccccc34)C(=O)c2cc1OC
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM8978
Synonyms:
(Propylcarbonylthioethyl)trimethylammonium iodide | CHEMBL139908 | CHEMBL148530 | [2-(butanoylsulfanyl)ethyl]trimethylazanium iodide | butyrylthiocholine | butyrylthiocholine chloride
Type:
Small organic molecule
Emp. Form.:
C9H20NOS
Mol. Mass.:
190.326
SMILES:
CCCC(=O)SCC[N+](C)(C)C
Structure:
Search PDB for entries with ligand similarity: