Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM9028
Substrate
BDBM8959
Meas. Tech.
In Vitro Enzyme Inhibition Assay
pH
8±n/a
Temperature
303.15±n/a K
IC50
2.9±n/a nM
Citation
Munoz-Ruiz, P; Rubio, L; Garcia-Palomero, E; Dorronsoro, I; del Monte-Millan, M; Valenzuela, R; Usan, P; de Austria, C; Bartolini, M; Andrisano, V; Bidon-Chanal, A; Orozco, M; Luque, FJ; Medina, M; Martinez, A Design, synthesis, and biological evaluation of dual binding site acetylcholinesterase inhibitors: new disease-modifying agents for Alzheimer's disease. J Med Chem 48:7223-33 (2005) [PubMed] Article
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_BOVIN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor
Type:
Enzyme
Mol. Mass.:
67659.62
Organism:
Bos taurus (bovine)
Description:
n/a
Residue:
613
Sequence:
MRPPWCPLHTPSLTPPLLLLLFLIGGGAEAEGPEDPELLVMVRGGRLRGLRLMAPRGPVSAFLGIPFAEPPVGPRRFLPPEPKRPWPGVLNATAFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPSSPTPVLVWIYGGGFYSGASSLDVYDGRFLTQAEGTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGVGEARRRATLLARLVGCPPGGAGGNDTELVACLRARPAQDLVDHEWRVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAQFLAGVRVGVPQASDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLSWPLWMGVPHGYEIEFIFGLPLEPSLNYTIEERTFAQRLMRYWANFARTGDPNDPRDPKAPQWPPYTAGAQQYVSLNLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
Inhibitor
Name:
BDBM9028
Synonyms:
Indole-Tacrine Heterodimer 11 | N-(3-{[3-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-propyl]methylamino}propyl)-3-(1H-indol-3-yl)propionamide | N-[3-({3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl}(methyl)amino)propyl]-3-(1H-indol-3-yl)propanamide
Type:
Small organic molecule
Emp. Form.:
C31H38ClN5O
Mol. Mass.:
532.119
SMILES:
CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2cc(Cl)ccc12
Substrate
Name:
BDBM8959
Synonyms:
(2-Mercaptoethyl)trimethylammonium iodide acetate | ATC | Acetylthiocholine | [2-(acetylsulfanyl)ethyl]trimethylazanium iodide | acetylthiocholine chloride | acetylthiocholine iodide
Type:
Small organic molecule
Emp. Form.:
C7H16NOS
Mol. Mass.:
162.272
SMILES:
CC(=O)SCC[N+](C)(C)C