Target
Cholinesterase
Ligand
BDBM50298405
Substrate
n/a
Meas. Tech.
ChEMBL_588497 (CHEMBL1041237)
IC50
2350±n/a nM
Citation
 Ronco, CSorin, GNachon, FFoucault, RJean, LRomieu, ARenard, PY Synthesis and structure-activity relationship of Huprine derivatives as human acetylcholinesterase inhibitors. Bioorg Med Chem 17:4523-36 (2009) [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:
BDBM50298405
Synonyms:
(+/-)-N-(2-azidoethyl)-3-chloro-6,7,10,11-tetrahydro-12-ylamino-9-methyl-7,11-methanocyclooctan[b]-quinoline | CHEMBL574973
Type:
Small organic molecule
Emp. Form.:
C19H20ClN5
Mol. Mass.:
353.849
SMILES:
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCN=[N+]=[N-] |t:1,TLB:18:7:4:6.2.1,THB:0:1:4:9.8.7,10:8:4:6.2.1|
Structure:
Search PDB for entries with ligand similarity: