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Target
Cholinesterase
Ligand
BDBM50313079
Substrate
n/a
Meas. Tech.
ChEMBL_1590872 (CHEMBL3830393)
IC50
1000±n/a nM
Citation
 Strelnik, AD; Petukhov, AS; Zueva, IV; Zobov, VV; Petrov, KA; Nikolsky, EE; Balakin, KV; Bachurin, SO; Shtyrlin, YG Novel potent pyridoxine-based inhibitors of AChE and BChE, structural analogs of pyridostigmine, with improved in vivo safety profile. Bioorg Med Chem Lett 26:4092-4 (2016) [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:
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