Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM9064
Substrate
BDBM8959
Meas. Tech.
Cholinesterase Inhibition Assay
pH
8±n/a
Temperature
303.15±n/a K
IC50
504±n/a nM
Citation
Alonso, D; Dorronsoro, I; Rubio, L; Munoz, P; Garcia-Palomero, E; Del Monte, M; Bidon-Chanal, A; Orozco, M; Luque, FJ; Castro, A; Medina, M; Martinez, A Donepezil-tacrine hybrid related derivatives as new dual binding site inhibitors of AChE. Bioorg Med Chem 13:6588-97 (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:
BDBM9064
Synonyms:
2-({[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]amino}methyl)-1H-indene-1,3(2H)-dione | 2-({[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]amino}methyl)-2,3-dihydro-1H-indene-1,3-dione | Donepezil-tacrine hybrid 9
Type:
Small organic molecule
Emp. Form.:
C29H33N3O2
Mol. Mass.:
455.5912
SMILES:
O=C1C(CNCCCCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12
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