Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50075586
Substrate
n/a
Meas. Tech.
ChEMBL_1473457 (CHEMBL3419739)
IC50
1865±n/a nM
Citation
 Guzior, N; Bajda, M; Skrok, M; Kurpiewska, K; Lewinski, K; Brus, B; Pi?lar, A; Kos, J; Gobec, S; Malawska, B Development of multifunctional, heterodimeric isoindoline-1,3-dione derivatives as cholinesterase andß-amyloid aggregation inhibitors with neuroprotective properties. Eur J Med Chem 92:738-49 (2015) [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:
BDBM50075586
Synonyms:
CHEMBL3415575
Type:
Small organic molecule
Emp. Form.:
C22H24F2N2O2
Mol. Mass.:
386.435
SMILES:
Fc1ccc(CNCCCCCCCN2C(=O)c3ccccc3C2=O)c(F)c1
Structure:
Search PDB for entries with ligand similarity: