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Target
Cholinesterase
Ligand
BDBM50107891
Substrate
n/a
Meas. Tech.
ChEMBL_41426 (CHEMBL654406)
IC50
79.30±n/a nM
Citation
 Camps, P; Gómez, E; Muñoz-Torrero, D; Badia, A; Vivas, NM; Barril, X; Orozco, M; Luque, FJ Synthesis, in vitro pharmacology, and molecular modeling of syn-huprines as acetylcholinesterase inhibitors. J Med Chem 44:4733-6 (2001) [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:
BDBM50107891
Synonyms:
(+/-) 15-ethyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine; hydrochloride | CHEMBL539051
Type:
Small organic molecule
Emp. Form.:
C18H20N2
Mol. Mass.:
264.3648
SMILES:
CCC1=CC2CC(C1)c1c(C2)nc2ccccc2c1N |t:2,TLB:1:2:8.9.10:5,THB:18:8:2.3.7:5,11:9:2.3.7:5|
Structure:
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