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Target
Cholinesterase
Ligand
BDBM50110316
Substrate
n/a
Meas. Tech.
ChEMBL_1511670 (CHEMBL3607423)
IC50
103430±n/a nM
Citation
 Mehr-un-Nisa, na; Munawar, MA; Chattha, FA; Kousar, S; Munir, J; Ismail, T; Ashraf, M; Khan, MA Synthesis of novel triazoles and a tetrazole of escitalopram as cholinesterase inhibitors. Bioorg Med Chem 23:6014-24 (2015) [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:
BDBM50110316
Synonyms:
CHEMBL3605434
Type:
Small organic molecule
Emp. Form.:
C28H29FN4O2
Mol. Mass.:
472.5539
SMILES:
COc1cccc(c1)-c1nnc([nH]1)-c1ccc2c(CO[C@@]2(CCCN(C)C)c2ccc(F)cc2)c1 |r|
Structure:
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