Ki Summary

Reaction Details

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Target

Carboxylic ester hydrolase

Ligand

BDBM50199520

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_441061 (CHEMBL891276)

IC50

63000±n/a nM

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

More Info.:

Get all data from this article, Assay Method

Carboxylic ester hydrolase

Name:

Carboxylic ester hydrolase

Synonyms:

Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | BuChE | Butyrylcholinesterase (BuChE) | butyrylcholinesterase precursor

Type:

Enzyme

Mol. Mass.:

67776.22

Organism:

Rattus norvegicus (rat)

Description:

n/a

Residue:

597

Sequence:

MVTEIHFLLWILLLCMLFGKSHTEEDVIITTKTGRVRGLSMPILGGTVTAFLGIPYAQPP
LGSLRFKKPQPLNKWPDVYNATKYANSCYQNIDQAFPGFQGSEMWNPNTNLSEDCLYLNV
WIPVPKPKNATVMVWVYGGGFQTGTSSLPVYDGKFLTRVERVIVVSMNYRVGALGFLAFP
GNSEAPGNMGLFDQQLALQWIQRNIAAFGGNPKSVTLFGESAGAASVSLHLLCPQSYPLF
TRAILESGSSNAPWAVKHPEEARNRTLTLAKFIGCSKENEKEIITCLRSKDPQEILLNEK
LVLPSDSIRSINFGPTVDGDFLTDMPHTLLQLGKVKTAQILVGVNKDEGTAFLVYGAPGF
SKDNDSLITRREFQEGLNMYFPGVSSLGKEAILFYYVDWLGDQTPEVYREAFDDIIGDYN
IICPALEFTKKFAELEINAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRVNYT
RAEEIFSRSIMKTWANFAKYGHPNGTQGNSTVWPVFTSTEQKYLTLNTEKSKINSKLRAP
QCQFWRLFFPKVLEITGDIDEREQEWKAGFHRWSNYMMDWKNQFNDYTSKKETCTDL

BDBM50199520

n/a

Name

BDBM50199520

Synonyms:

CHEMBL397232 | N,N'-dimethyl-N,N'-bis[2-(1-oxo-8,15-didehydrolycodinocarbonyl)ethyl]-1,8-octanediamine

Type

Small organic molecule

Emp. Form.

C48H68N6O4

Mol. Mass.

793.0913

SMILES

CN(CCCCCCCCN(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:36,63,THB:51:52:43:54.57.55,33:32:20:22.23.29,47:46:43:54.57.55|

Structure