| Reaction Details |
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 | Report a problem with these data |
| Target | Carboxylic ester hydrolase |
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| Ligand | BDBM50261314 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_531228 (CHEMBL983416) |
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| IC50 | 170±n/a nM |
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| Citation |  Decker, M; Kraus, B; Heilmann, J Design, synthesis and pharmacological evaluation of hybrid molecules out of quinazolinimines and lipoic acid lead to highly potent and selective butyrylcholinesterase inhibitors with antioxidant properties. Bioorg Med Chem16:4252-61 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Carboxylic ester hydrolase |
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| Name: | Carboxylic ester hydrolase |
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| Synonyms: | BuChE | Butyrlcholinesterase (BuChE) | Butyrylcholine esterase | Butyrylcholinesterase | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | Butyrylcholinesterase (EqBuChE) | Carboxylic ester hydrolase | butyrylcholinesterase precursor |
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| Type: | Protein |
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| Mol. Mass.: | 68842.83 |
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| Organism: | Equus caballus (Horse) |
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| Description: | Q9N1N9 |
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| Residue: | 602 |
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| Sequence: | MQSWGTIICIRILLRFLLLWVLIGNSHTEEDIIITTKNGKVRGMNLPVLGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDC
LYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALG
FLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPR
SQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEI
LLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDV
VGDYNIICPALEFTKKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLER
RVNYTKAEEILSRSIMKRWANFAKYGNPNGTQSNSTRWPVFKSTEQKYLTLNTESPKVYT
KLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCS
DF
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| BDBM50261314 |
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| n/a |
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| Name | BDBM50261314 |
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| Synonyms: | CHEMBL467945 | N-(7-{[6-Chloro-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylidene]amino}butyl)-5-(1,2-dithiolan-3-yl)-pentanamide |
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| Type | Small organic molecule |
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| Emp. Form. | C23H31ClN4OS2 |
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| Mol. Mass. | 479.101 |
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| SMILES | Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCNC(=O)CCCCC1CCSS1 |
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| Structure | 
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