Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50182439
Substrate
n/a
Meas. Tech.
ChEMBL_1586618 (CHEMBL3821973)
Ki
2378±n/a nM
Citation
 Costanzo, P; Cariati, L; Desiderio, D; Sgammato, R; Lamberti, A; Arcone, R; Salerno, R; Nardi, M; Masullo, M; Oliverio, M Design, Synthesis, and Evaluation of Donepezil-Like Compounds as AChE and BACE-1 Inhibitors. ACS Med Chem Lett 7:470-5 (2016) [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:
BDBM50182439
Synonyms:
CHEMBL3819574
Type:
Small organic molecule
Emp. Form.:
C24H27NO3
Mol. Mass.:
377.4761
SMILES:
COc1cccc(CN2CCC(CC2)\C=C2/Cc3cccc(OC)c3C2=O)c1
Structure:
Search PDB for entries with ligand similarity: