Reaction Details Report a problem with these data
Target
Carboxylic ester hydrolase
Ligand
BDBM50359514
Substrate
n/a
Meas. Tech.
ChEMBL_792865 (CHEMBL1931050)
IC50
1460±n/a nM
Citation
 Jiang, H; Wang, X; Huang, L; Luo, Z; Su, T; Ding, K; Li, X Benzenediol-berberine hybrids: multifunctional agents for Alzheimer's disease. Bioorg Med Chem 19:7228-35 (2011) [PubMed]  Article 
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:
BDBM50359514
Synonyms:
CHEMBL1927134
Type:
Small organic molecule
Emp. Form.:
C32H30N3O5
Mol. Mass.:
536.5972
SMILES:
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCC(=O)NCCc1c[nH]c2ccccc12
Structure:
Search PDB for entries with ligand similarity: