Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM65867
Substrate
n/a
Meas. Tech.
ChEMBL_1930151 (CHEMBL4433402)
IC50
4000±n/a nM
Citation
 Sharma, P; Tripathi, A; Tripathi, PN; Prajapati, SK; Seth, A; Tripathi, MK; Srivastava, P; Tiwari, V; Krishnamurthy, S; Shrivastava, SK Design and development of multitarget-directed N-Benzylpiperidine analogs as potential candidates for the treatment of Alzheimer's disease. Eur J Med Chem 167:510-524 (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:
BDBM65867
Synonyms:
(1-benzyl-4-piperidyl)-(4-chlorobenzyl)amine | 1-benzyl-N-(4-chlorobenzyl)-4-piperidinamine | 1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine | MLS000974662 | N-[(4-chlorophenyl)methyl]-1-(phenylmethyl)-4-piperidinamine | N-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-amine | SMR000496472 | cid_784405
Type:
Small organic molecule
Emp. Form.:
C19H23ClN2
Mol. Mass.:
314.852
SMILES:
Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
Structure:
Search PDB for entries with ligand similarity: