Target
Acetylcholinesterase
Ligand
BDBM50124570
Substrate
n/a
Meas. Tech.
ChEMBL_430033 (CHEMBL917209)
Ki
12.2±n/a nM
Citation
 Tumiatti, VAndrisano, VBanzi, RBartolini, MMinarini, ARosini, MMelchiorre, C Structure-activity relationships of acetylcholinesterase noncovalent inhibitors based on a polyamine backbone. 3. Effect of replacing the inner polymethylene chain with cyclic moieties. J Med Chem 47:6490-8 (2004) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50124570
Synonyms:
6-[Ethyl-(2-methoxy-benzyl)-amino]-hexanoic acid [8-({6-[ethyl-(2-methoxy-benzyl)-amino]-hexanoyl}-methyl-amino)-octyl]-methyl-amide | CHEMBL173309 | CHEMBL385130 | N,N''-(octane-1,8-diyl)bis(6-(ethyl(2-methoxybenzyl)amino)-N-methylhexanamide)
Type:
Small organic molecule
Emp. Form.:
C42H70N4O4
Mol. Mass.:
695.0296
SMILES:
CCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC
Structure:
Search PDB for entries with ligand similarity: