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Target
Cholinesterase
Ligand
BDBM50245242
Substrate
n/a
Meas. Tech.
ChEMBL_511098 (CHEMBL1000390)
IC50
4590±n/a nM
Citation
 Rivera-Becerril, E; Joseph-Nathan, P; Pérez-Alvarez, VM; Morales-Ríos, MS Synthesis and biological evaluation of (-)- and (+)-debromoflustramine B and its analogues as selective butyrylcholinesterase inhibitors. J Med Chem 51:5271-84 (2008) [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:
BDBM50245242
Synonyms:
5-Methoxy-1-methyl-3a,8-bis(3-methylbut-2-enyl)-1,2,3,3a,8,8ahexahydropyrrolo[2,3-b]indole | CHEMBL507517
Type:
Small organic molecule
Emp. Form.:
C22H32N2O
Mol. Mass.:
340.5023
SMILES:
[#6]-[#8]-c1ccc2-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]3-[#7](-[#6])-[#6]-[#6]C3([#6]\[#6]=[#6](\[#6])-[#6])c2c1
Structure:
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