Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50099596
Substrate
n/a
Meas. Tech.
ChEMBL_1431529 (CHEMBL3390450)
IC50
97±n/a nM
Citation
 Lan, JS; Xie, SS; Li, SY; Pan, LF; Wang, XB; Kong, LY Design, synthesis and evaluation of novel tacrine-(ß-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem 22:6089-104 (2014) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase
Type:
Enzyme
Mol. Mass.:
65643.35
Organism:
Horse
Description:
P81908
Residue:
574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM50099596
Synonyms:
CHEMBL3343882
Type:
Small organic molecule
Emp. Form.:
C33H37N5O
Mol. Mass.:
519.6798
SMILES:
CCc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Structure:
Search PDB for entries with ligand similarity: