Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50019014 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1366479 (CHEMBL3296433) |
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IC50 | >200000±n/a nM |
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Citation | Castro, MJ; Richmond, V; Romero, C; Maier, MS; Estévez-Braun, A; Ravelo, AG; Faraoni, MB; Murray, AP Preparation, anticholinesterase activity and molecular docking of new lupane derivatives. Bioorg Med Chem22:3341-50 (2014) [PubMed] Article |
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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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BDBM50019014 |
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n/a |
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Name | BDBM50019014 |
Synonyms: | CHEMBL3288085 |
Type | Small organic molecule |
Emp. Form. | C32H52O3 |
Mol. Mass. | 484.7535 |
SMILES | [H][C@]12[C@@H](CC[C@]1(C)[C@@H](O)C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C |r| |
Structure |
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