Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50523570 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1890732 (CHEMBL4392486) |
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IC50 | 10450±n/a nM |
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Citation | Arumugam, N; Almansour, AI; Kumar, RS; Kotresha, D; Saiswaroop, R; Venketesh, S Dispiropyrrolidinyl-piperidone embedded indeno[1,2-b]quinoxaline heterocyclic hybrids: Synthesis, cholinesterase inhibitory activity and their molecular docking simulation. Bioorg Med Chem27:2621-2628 (2019) [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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BDBM50523570 |
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n/a |
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Name | BDBM50523570 |
Synonyms: | CHEMBL4436182 |
Type | Small organic molecule |
Emp. Form. | C44H35N7O5 |
Mol. Mass. | 741.7926 |
SMILES | [O-][N+](=O)c1cccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3cccc(c3)[N+]([O-])=O)C2=O)c1 |c:39,t:32| |
Structure |
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