Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM9029 |
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Substrate/Competitor | BDBM8959 |
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Meas. Tech. | In Vitro Enzyme Inhibition Assay |
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pH | 8±n/a |
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Temperature | 303.15±n/a K |
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IC50 | 0.7±n/a nM |
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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 Chem48:7223-33 (2005) [PubMed] Article |
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More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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Acetylcholinesterase |
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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: | MRPPWCPLHTPSLTPPLLLLLFLIGGGAEAEGPEDPELLVMVRGGRLRGLRLMAPRGPVS
AFLGIPFAEPPVGPRRFLPPEPKRPWPGVLNATAFQSVCYQYVDTLYPGFEGTEMWNPNR
ELSEDCLYLNVWTPYPRPSSPTPVLVWIYGGGFYSGASSLDVYDGRFLTQAEGTVLVSMN
YRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVG
MHLLSPPSRGLFHRAVLQSGAPNGPWATVGVGEARRRATLLARLVGCPPGGAGGNDTELV
ACLRARPAQDLVDHEWRVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGV
VKDEGSYFLVYGAPGFSKDNESLISRAQFLAGVRVGVPQASDLAAEAVVLHYTDWLHPED
PARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLSWPLWMGVPHGYE
IEFIFGLPLEPSLNYTIEERTFAQRLMRYWANFARTGDPNDPRDPKAPQWPPYTAGAQQY
VSLNLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQ
FDHYSKQDRCSDL
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BDBM9029 |
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BDBM8959 |
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Name | BDBM9029 |
Synonyms: | Indole-Tacrine Heterodimer 12 | N-[6-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-hexyl]-3-(5-cyano-1H-indol-3-yl)propionamide | N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl}-3-(5-cyano-1H-indol-3-yl)propanamide |
Type | Small organic molecule |
Emp. Form. | C31H34ClN5O |
Mol. Mass. | 528.088 |
SMILES | Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccc(cc34)C#N)c3CCCCc3nc2c1 |
Structure |
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