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Target
Cholinesterase
Ligand
BDBM50299465
Substrate
n/a
Meas. Tech.
ChEMBL_590773 (CHEMBL1037611)
IC50
11100±n/a nM
Citation
 Bolognesi, ML; Cavalli, A; Bergamini, C; Fato, R; Lenaz, G; Rosini, M; Bartolini, M; Andrisano, V; Melchiorre, C Toward a rational design of multitarget-directed antioxidants: merging memoquin and lipoic acid molecular frameworks. J Med Chem 52:7883-6 (2009) [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:
BDBM50299465
Synonyms:
5-[1,2]Dithiolan-3-yl-pentanoic acid [6-(4-{3-[ethyl-(2-methoxy-benzyl)-amino]-propylamino}-3,6-dioxo-cyclohexa-1,4-dienylamino)-hexyl]-amide | CHEMBL572453
Type:
Small organic molecule
Emp. Form.:
C33H50N4O4S2
Mol. Mass.:
630.905
SMILES:
CCN(CCC=Nc1cc(O)c(NCCCCCCNC(=O)CCCCC2CCSS2)cc1O)Cc1ccccc1OC |w:5.4|
Structure:
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