Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM235648
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
8±0
Temperature
310.15±0 K
IC50
1.213e+4± 5.1e+2 nM
Citation
 Luo, W; Li, YP; Tan, JH; Gu, LQ; Huang, ZS Synthesis and biological evaluation of novel N,N'-bis-methylenedioxybenzyl-alkylenediamines as bivalent anti-Alzheimer disease ligands. J Enzyme Inhib Med Chem 26:706-11 (2011) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase
Type:
Enzyme
Mol. Mass.:
65643.35
Organism:
Equus caballus (Horse)
Description:
P81908
Residue:
574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM235648
Synonyms:
N1,N4-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methyl)butane-1,4-diamine (5b)
Type:
Small organic molecule
Emp. Form.:
C22H28N2O6
Mol. Mass.:
416.4675
SMILES:
COc1cc(CNCCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12
Structure:
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