Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM9035 |
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Substrate/Competitor | BDBM8978 |
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Meas. Tech. | In Vitro Enzyme Inhibition Assay |
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IC50 | 11.7±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, Solution Info, Assay Method |
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Cholinesterase |
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Name: | Cholinesterase |
Synonyms: | Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase |
Type: | Homotetramer |
Mol. Mass.: | 68422.27 |
Organism: | Homo sapiens (Human) |
Description: | P06276 |
Residue: | 602 |
Sequence: | MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDC
LYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALG
FLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPG
SHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEI
LLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDV
VGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLER
RDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMT
KLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCV
GL
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BDBM9035 |
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BDBM8978 |
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Name | BDBM9035 |
Synonyms: | Indole-Tacrine Heterodimer 18 | N-[7-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-heptyl]-2-(1H-indol-3-yl)acetamide | N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-2-(1H-indol-3-yl)acetamide |
Type | Small organic molecule |
Emp. Form. | C30H35ClN4O |
Mol. Mass. | 503.078 |
SMILES | Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccccc34)c3CCCCc3nc2c1 |
Structure |
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