Reaction Details |
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Target | Carboxylic ester hydrolase |
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Ligand | BDBM9013 |
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Substrate/Competitor | BDBM8978 |
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Meas. Tech. | Cholinesterase Inhibition Assay |
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IC50 | 2.0±n/a nM |
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Citation | Rodriguez-Franco, MI; Fernandez-Bachiller, MI; Perez, C; Hernandez-Ledesma, B; Bartolome, B Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase inhibitory and antioxidant properties. J Med Chem49:459-62 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Carboxylic ester hydrolase |
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Name: | Carboxylic ester hydrolase |
Synonyms: | BuChE | Butyrlcholinesterase (BuChE) | Butyrylcholine esterase | Butyrylcholinesterase | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | Butyrylcholinesterase (EqBuChE) | Carboxylic ester hydrolase | butyrylcholinesterase precursor |
Type: | Protein |
Mol. Mass.: | 68842.83 |
Organism: | Equus caballus (Horse) |
Description: | Q9N1N9 |
Residue: | 602 |
Sequence: | MQSWGTIICIRILLRFLLLWVLIGNSHTEEDIIITTKNGKVRGMNLPVLGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDC
LYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALG
FLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPR
SQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEI
LLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDV
VGDYNIICPALEFTKKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLER
RVNYTKAEEILSRSIMKRWANFAKYGNPNGTQSNSTRWPVFKSTEQKYLTLNTESPKVYT
KLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCS
DF
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BDBM9013 |
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BDBM8978 |
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Name | BDBM9013 |
Synonyms: | 6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic acid [2-(5-methoxy-1H-indol-3-yl)-ethyl]-amide | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexanamide | Tacrine-Melatonin Hybrid 7a |
Type | Small organic molecule |
Emp. Form. | C30H36N4O2 |
Mol. Mass. | 484.6324 |
SMILES | COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1 |
Structure |
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