Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM10684
Substrate
BDBM8978
Meas. Tech.
Cholinesterase Inhibition Assay
IC50
8.1±n/a nM
Citation
 Yu, Q; Greig, NH; Holloway, HW; Brossi, A Syntheses and anticholinesterase activities of (3aS)-N1, N8-bisnorphenserine, (3aS)-N1,N8-bisnorphysostigmine, their antipodal isomers, and other potential metabolites of phenserine. J Med Chem 41:2371-9 (1998) [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:
BDBM10684
Synonyms:
(-)-(3aS)-1,8-Dibenzyl-3a-methyl-1,2,3,3a,8,8a-hexahydropyrrol[2,3-b]indol-5-yl N-Methylcarbamate | (-)-N1,N8-bisbenzylnorphysostigmine | (-)19 | (3aS)-1,8-dibenzyl-3a-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate
Type:
Small organic molecule
Emp. Form.:
C27H29N3O2
Mol. Mass.:
427.5381
SMILES:
CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(Cc4ccccc4)CC[C@@]3(C)c2c1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM8978
Synonyms:
(Propylcarbonylthioethyl)trimethylammonium iodide | CHEMBL139908 | CHEMBL148530 | [2-(butanoylsulfanyl)ethyl]trimethylazanium iodide | butyrylthiocholine | butyrylthiocholine chloride
Type:
Small organic molecule
Emp. Form.:
C9H20NOS
Mol. Mass.:
190.326
SMILES:
CCCC(=O)SCC[N+](C)(C)C
Structure:
Search PDB for entries with ligand similarity: