Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50131046 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_627928 (CHEMBL1104579) |
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IC50 | >100000±n/a nM |
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Citation | Wang, B; Mai, YC; Li, Y; Hou, JQ; Huang, SL; Ou, TM; Tan, JH; An, LK; Li, D; Gu, LQ; Huang, ZS Synthesis and evaluation of novel rutaecarpine derivatives and related alkaloids derivatives as selective acetylcholinesterase inhibitors. Eur J Med Chem45:1415-23 (2010) [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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BDBM50131046 |
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n/a |
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Name | BDBM50131046 |
Synonyms: | 8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5-one | CHEMBL85139 | cid_65752 | rutaecarpine |
Type | Small organic molecule |
Emp. Form. | C18H13N3O |
Mol. Mass. | 287.3153 |
SMILES | O=c1n2CCc3c([nH]c4ccccc34)-c2nc2ccccc12 |
Structure |
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