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Target
Cholinesterase
Ligand
BDBM50221907
Substrate
n/a
Meas. Tech.
ChEMBL_446305 (CHEMBL895408)
IC50
2250±n/a nM
Citation
 Bolognesi, ML; Banzi, R; Bartolini, M; Cavalli, A; Tarozzi, A; Andrisano, V; Minarini, A; Rosini, M; Tumiatti, V; Bergamini, C; Fato, R; Lenaz, G; Hrelia, P; Cattaneo, A; Recanatini, M; Melchiorre, C Novel class of quinone-bearing polyamines as multi-target-directed ligands to combat Alzheimer's disease. J Med Chem 50:4882-97 (2007) [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:
BDBM50221907
Synonyms:
2,5-bis{6-[ethyl(2-methoxybenzyl)amino]hexylamino}-3,6-diphenyl-[1,4]-benzoquinone | CHEMBL396050
Type:
Small organic molecule
Emp. Form.:
C50H64N4O4
Mol. Mass.:
785.0676
SMILES:
CCN(CCCCCCNc1c(O)c(-c2ccccc2)c(N=CCCCCCN(CC)Cc2ccccc2OC)c(O)c1-c1ccccc1)Cc1ccccc1OC |w:21.21|
Structure:
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