Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50384890
Substrate
n/a
Meas. Tech.
ChEMBL_820326 (CHEMBL2037748)
IC50
177.83±n/a nM
Citation
 Wang, Y; Guan, XL; Wu, PF; Wang, CM; Cao, H; Li, L; Guo, XJ; Wang, F; Xie, N; Jiang, FC; Chen, JG Multifunctional mercapto-tacrine derivatives for treatment of age-related neurodegenerative diseases. J Med Chem 55:3588-92 (2012) [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:
BDBM50384890
Synonyms:
CHEMBL2036263
Type:
Small organic molecule
Emp. Form.:
C22H30ClN3OS
Mol. Mass.:
420.011
SMILES:
SCCC(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Structure:
Search PDB for entries with ligand similarity: