Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50550230 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2027087 (CHEMBL4681245) |
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IC50 | 5.4±n/a nM |
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Citation | Benchekroun, M; Romero, A; Egea, J; León, R; Michalska, P; Buendía, I; Jimeno, ML; Jun, D; Janockova, J; Sepsova, V; Soukup, O; Bautista-Aguilera, OM; Refouvelet, B; Ouari, O; Marco-Contelles, J; Ismaili, L The Antioxidant Additive Approach for Alzheimer's Disease Therapy: New Ferulic (Lipoic) Acid Plus Melatonin Modified Tacrines as Cholinesterases Inhibitors, Direct Antioxidants, and Nuclear Factor (Erythroid-Derived 2)-Like 2 Activators. J Med Chem59:9967-9973 (2016) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Cholinesterase |
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Name: | Cholinesterase |
Synonyms: | BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase |
Type: | Enzyme |
Mol. Mass.: | 65643.35 |
Organism: | Equus caballus (Horse) |
Description: | P81908 |
Residue: | 574 |
Sequence: | EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATK
YANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQT
GTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQK
NIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEAR
NRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLT
DMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPR
VSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYY
FEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNP
NGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAE
REWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
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BDBM50550230 |
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n/a |
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Name | BDBM50550230 |
Synonyms: | CHEMBL4761802 |
Type | Small organic molecule |
Emp. Form. | C42H57N5O4S2 |
Mol. Mass. | 760.063 |
SMILES | COc1ccc2[nH]cc(CCNC(=O)CN(CCCCCCCNc3c4CCCCc4nc4ccc(OC)cc34)C(=O)CCCC[C@@H]3CCSS3)c2c1 |r| |
Structure |
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