Target
Cholinesterase
Ligand
BDBM50313079
Substrate
n/a
Meas. Tech.
In Vitro Assay
pH
7.4±n/a
IC50
16000000±260800 nM
Comments
extracted
Citation
 Musilek, KPavlikova, RMarek, JKomloova, MHolas, OHrabinova, MPohanka, MDohnal, VDolezal, MGunn-Moore, FKuca, K The preparation, in vitro screening and molecular docking of symmetrical bisquaternary cholinesterase inhibitors containing a but-(2E)-en-1,4-diyl connecting linkage. J Enzyme Inhib Med Chem 26:245-53 (2011) [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:
BDBM50313079
Synonyms:
3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromide | CHEMBL812 | Mestinon | PYRIDOSTIGMINE BROMIDE | Pyridostigmine | Pyridostigmine (1) | Regonol
Type:
Small organic molecule
Emp. Form.:
C9H13N2O2
Mol. Mass.:
181.2112
SMILES:
CN(C)C(=O)Oc1ccc[n+](C)c1
Structure:
Search PDB for entries with ligand similarity: