Reaction Details |
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Target | Carboxylic ester hydrolase |
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Ligand | BDBM50261345 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_531228 (CHEMBL983416) |
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IC50 | 23±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 |
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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BDBM50261345 |
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n/a |
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Name | BDBM50261345 |
Synonyms: | 5-(1,2-Dithiolan-3-yl)-N-[8-(6,7,8,9,10,11-hexahydro-13H-azocino[2,1-b]quinazolin-13-ylideneamino)-octyl]pentanamide | CHEMBL466339 |
Type | Small organic molecule |
Emp. Form. | C30H46N4OS2 |
Mol. Mass. | 542.842 |
SMILES | O=C(CCCCC1CCSS1)NCCCCCCCC\N=c1/n2CCCCCCc2nc2ccccc12 |
Structure |
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