Reaction Details Report a problem with these data
Target
Carboxylic ester hydrolase
Ligand
BDBM225278
Substrate
n/a
Meas. Tech.
Cholinesterase Activity Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
2.021e+4± 1.17e+3 nM
Comments
extracted
Citation
 Ozadali-Sari, K; Küçükkilinç, TT; Ayazgok, B; Balkan, A; Unsal-Tan, O Novel multi-targeted agents for Alzheimer's disease: Synthesis, biological evaluation, and molecular modeling of novel 2-[4-(4-substitutedpiperazin-1-yl)phenyl]benzimidazoles Bioorg Chem 72:208-214 (2017)   
Target
Name:
Carboxylic ester hydrolase
Synonyms:
BuChE | Butyrlcholinesterase (BuChE) | Butyrylcholine esterase | Butyrylcholinesterase | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | Butyrylcholinesterase (EqBuChE) | Carboxylic ester hydrolase | butyrylcholinesterase precursor
Type:
Protein
Mol. Mass.:
68842.83
Organism:
Equus caballus (Horse)
Description:
Q9N1N9
Residue:
602
Sequence:
MQSWGTIICIRILLRFLLLWVLIGNSHTEEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTKKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTKAEEILSRSIMKRWANFAKYGNPNGTQSNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM225278
Synonyms:
5-Methoxy-2-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-benzo[d]imidazole (3f)
Type:
Small organic molecule
Emp. Form.:
C20H24N4O
Mol. Mass.:
336.4308
SMILES:
CCN1CCN(CC1)c1ccc(cc1)-c1nc2cc(OC)ccc2[nH]1
Structure:
Search PDB for entries with ligand similarity: