Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCholinesterase
LigandBDBM50161808
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1567722 (CHEMBL3787937)
IC50>100000±n/a nM
Citation Zha, GFZhang, CPQin, HLJantan, ISher, MAmjad, MWHussain, MAHussain, ZBukhari, SN Biological evaluation of synthetica,ß-unsaturated carbonyl based cyclohexanone derivatives as neuroprotective novel inhibitors of acetylcholinesterase, butyrylcholinesterase and amyloid-ß aggregation. Bioorg Med Chem24:2352-9 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cholinesterase
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50161808
n/a
NameBDBM50161808
Synonyms:CHEMBL3785460
TypeSmall organic molecule
Emp. Form.C23H22Cl2O6
Mol. Mass.465.323
SMILESCOc1ccc(\C=C2/COC\C(=C/c3ccc(OC)c(OC)c3Cl)C2=O)c(Cl)c1OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: