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Target
Cholinesterase
Ligand
BDBM50519739
Substrate
n/a
Meas. Tech.
ChEMBL_1878298 (CHEMBL4379692)
IC50
7220±n/a nM
Citation
 Malek, R; Arribas, RL; Palomino-Antolin, A; Totoson, P; Demougeot, C; Kobrlova, T; Soukup, O; Iriepa, I; Moraleda, I; Diez-Iriepa, D; Gody?, J; Panek, D; Malawska, B; G?uch-Lutwin, M; Mordyl, B; Siwek, A; Chabchoub, F; Marco-Contelles, J; Kiec-Kononowicz, K; Egea, J; de Los Ríos, C; Ismaili, L New Dual Small Molecules for Alzheimer's Disease Therapy Combining Histamine H J Med Chem 62:11416-11422 (2019) [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:
BDBM50519739
Synonyms:
CHEMBL4443523
Type:
Small organic molecule
Emp. Form.:
C27H38N2O5
Mol. Mass.:
470.601
SMILES:
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCCN2CCCC2)cc1)C(=O)OCC |c:5,10|
Structure:
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