Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50114367
Substrate
n/a
Meas. Tech.
ChEMBL_1511326 (CHEMBL3606231)
IC50
0.700000±n/a nM
Citation
 Bajda, M; Jonczyk, J; Malawska, B; Czarnecka, K; Girek, M; Olszewska, P; Sikora, J; Mikiciuk-Olasik, E; Skibinski, R; Gumieniczek, A; Szymanski, P Synthesis, biological evaluation and molecular modeling of new tetrahydroacridine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem 23:5610-8 (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:
BDBM50114367
Synonyms:
CHEMBL3604198
Type:
Small organic molecule
Emp. Form.:
C30H41ClN4O
Mol. Mass.:
509.126
SMILES:
Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Structure:
Search PDB for entries with ligand similarity: