Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM235647
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
8±0
Temperature
310.15±0 K
IC50
5.231e+4± 1.52e+3 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:
BDBM235647
Synonyms:
N1,N3-bis((7-methoxybenzo[d][1,3]dioxol-5-yl)methyl)propane-1,3-diamine (5a)
Type:
Small organic molecule
Emp. Form.:
C21H26N2O6
Mol. Mass.:
402.4409
SMILES:
COc1cc(CNCCCNCc2cc3OCOc3c(OC)c2)cc2OCOc12
Structure:
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