Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50402588 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_886760 (CHEMBL2210074) |
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IC50 | 685±n/a nM |
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Citation | Alipour, M; Khoobi, M; Foroumadi, A; Nadri, H; Moradi, A; Sakhteman, A; Ghandi, M; Shafiee, A Novel coumarin derivatives bearing N-benzyl pyridinium moiety: potent and dual binding site acetylcholinesterase inhibitors. Bioorg Med Chem20:7214-22 (2012) [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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BDBM50402588 |
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n/a |
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Name | BDBM50402588 |
Synonyms: | CHEMBL2206118 |
Type | Small organic molecule |
Emp. Form. | C25H18FN2O6 |
Mol. Mass. | 461.4181 |
SMILES | COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4c(F)cccc4[N+]([O-])=O)cc3)c(=O)oc12 |
Structure |
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