| Reaction Details |
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 | Report a problem with these data |
| Target | Carboxylic ester hydrolase |
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| Ligand | BDBM50199529 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_441061 (CHEMBL891276) |
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| IC50 | 88400±n/a nM |
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| Citation |  He, XC; Feng, S; Wang, ZF; Shi, Y; Zheng, S; Xia, Y; Jiang, H; Tang, XC; Bai, D Study on dual-site inhibitors of acetylcholinesterase: Highly potent derivatives of bis- and bifunctional huperzine B. Bioorg Med Chem15:1394-408 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Carboxylic ester hydrolase |
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| Name: | Carboxylic ester hydrolase |
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| Synonyms: | Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | BuChE | Butyrylcholinesterase (BuChE) | butyrylcholinesterase precursor |
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| Type: | Enzyme |
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| Mol. Mass.: | 67776.22 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | n/a |
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| Residue: | 597 |
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| Sequence: | MVTEIHFLLWILLLCMLFGKSHTEEDVIITTKTGRVRGLSMPILGGTVTAFLGIPYAQPP
LGSLRFKKPQPLNKWPDVYNATKYANSCYQNIDQAFPGFQGSEMWNPNTNLSEDCLYLNV
WIPVPKPKNATVMVWVYGGGFQTGTSSLPVYDGKFLTRVERVIVVSMNYRVGALGFLAFP
GNSEAPGNMGLFDQQLALQWIQRNIAAFGGNPKSVTLFGESAGAASVSLHLLCPQSYPLF
TRAILESGSSNAPWAVKHPEEARNRTLTLAKFIGCSKENEKEIITCLRSKDPQEILLNEK
LVLPSDSIRSINFGPTVDGDFLTDMPHTLLQLGKVKTAQILVGVNKDEGTAFLVYGAPGF
SKDNDSLITRREFQEGLNMYFPGVSSLGKEAILFYYVDWLGDQTPEVYREAFDDIIGDYN
IICPALEFTKKFAELEINAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRVNYT
RAEEIFSRSIMKTWANFAKYGHPNGTQGNSTVWPVFTSTEQKYLTLNTEKSKINSKLRAP
QCQFWRLFFPKVLEITGDIDEREQEWKAGFHRWSNYMMDWKNQFNDYTSKKETCTDL
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| BDBM50199529 |
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| n/a |
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| Name | BDBM50199529 |
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| Synonyms: | CHEMBL440054 | N,N'-dimethyl-N,N'-bis[2-(1-oxo-8,15-didehydrolycodinocarbonyl)ethyl]-1,12-dodecanediamine |
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| Type | Small organic molecule |
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| Emp. Form. | C52H76N6O4 |
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| Mol. Mass. | 849.1976 |
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| SMILES | CN(CCCCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:40,67,THB:32:33:24:35.36.38,28:27:24:35.36.38,55:56:47:58.59.61,51:50:47:58.59.61| |
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| Structure | 
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