Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50124570
Substrate
n/a
Meas. Tech.
ChEMBL_28749 (CHEMBL641013)
Ki
12.2±n/a nM
Citation
 Tumiatti, V; Rosini, M; Bartolini, M; Cavalli, A; Marucci, G; Andrisano, V; Angeli, P; Banzi, R; Minarini, A; Recanatini, M; Melchiorre, C Structure-activity relationships of acetylcholinesterase noncovalent inhibitors based on a polyamine backbone. 2. Role of the substituents on the phenyl ring and nitrogen atoms of caproctamine. J Med Chem 46:954-66 (2003) [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:
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