Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50456709
Substrate
n/a
Meas. Tech.
ChEMBL_1757790 (CHEMBL4192798)
Ki
29±n/a nM
Citation
 Roldán-Peña, JM; Alejandre-Ramos, D; López, Ó; Maya, I; Lagunes, I; Padrón, JM; Peña-Altamira, LE; Bartolini, M; Monti, B; Bolognesi, ML; Fernández-Bolaños, JG New tacrine dimers with antioxidant linkers as dual drugs: Anti-Alzheimer's and antiproliferative agents. Eur J Med Chem 138:761-773 (2017) [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:
BDBM50456709
Synonyms:
CHEMBL4205454
Type:
Small organic molecule
Emp. Form.:
C27H34N4OSe
Mol. Mass.:
509.55
SMILES:
[#6]-[#8]-c1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1
Structure:
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