Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50261236
Substrate
n/a
Meas. Tech.
ChEMBL_555910 (CHEMBL956646)
IC50
21700±n/a nM
Citation
 Rizzo, S; Rivière, C; Piazzi, L; Bisi, A; Gobbi, S; Bartolini, M; Andrisano, V; Morroni, F; Tarozzi, A; Monti, JP; Rampa, A Benzofuran-based hybrid compounds for the inhibition of cholinesterase activity, beta amyloid aggregation, and abeta neurotoxicity. J Med Chem 51:2883-6 (2008) [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:
BDBM50261236
Synonyms:
(2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzofuran-3-yl)-(3-methoxyphenyl)-methanone | CHEMBL447857
Type:
Small organic molecule
Emp. Form.:
C37H39NO4
Mol. Mass.:
561.7099
SMILES:
COc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity: