Reaction Details Report a problem with these data
Target
Carboxylic ester hydrolase
Ligand
BDBM50304227
Substrate
n/a
Meas. Tech.
ChEMBL_605401 (CHEMBL1073395)
IC50
>100000±n/a nM
Citation
 Sheng, R; Lin, X; Zhang, J; Chol, KS; Huang, W; Yang, B; He, Q; Hu, Y Design, synthesis and evaluation of flavonoid derivatives as potent AChE inhibitors. Bioorg Med Chem 17:6692-8 (2009) [PubMed]  Article 
Target
Name:
Carboxylic ester hydrolase
Synonyms:
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | BuChE | Butyrylcholinesterase (BuChE) | butyrylcholinesterase precursor
Type:
Enzyme
Mol. Mass.:
67776.22
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
597
Sequence:
MVTEIHFLLWILLLCMLFGKSHTEEDVIITTKTGRVRGLSMPILGGTVTAFLGIPYAQPPLGSLRFKKPQPLNKWPDVYNATKYANSCYQNIDQAFPGFQGSEMWNPNTNLSEDCLYLNVWIPVPKPKNATVMVWVYGGGFQTGTSSLPVYDGKFLTRVERVIVVSMNYRVGALGFLAFPGNSEAPGNMGLFDQQLALQWIQRNIAAFGGNPKSVTLFGESAGAASVSLHLLCPQSYPLFTRAILESGSSNAPWAVKHPEEARNRTLTLAKFIGCSKENEKEIITCLRSKDPQEILLNEKLVLPSDSIRSINFGPTVDGDFLTDMPHTLLQLGKVKTAQILVGVNKDEGTAFLVYGAPGFSKDNDSLITRREFQEGLNMYFPGVSSLGKEAILFYYVDWLGDQTPEVYREAFDDIIGDYNIICPALEFTKKFAELEINAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEIFSRSIMKTWANFAKYGHPNGTQGNSTVWPVFTSTEQKYLTLNTEKSKINSKLRAPQCQFWRLFFPKVLEITGDIDEREQEWKAGFHRWSNYMMDWKNQFNDYTSKKETCTDL
  
Inhibitor
Name:
BDBM50304227
Synonyms:
6,7-Dimethoxy-3-[3-(pyrrolidin-1-ylmethyl)-phenyl]-4H-chromen-4-one | CHEMBL595129
Type:
Small organic molecule
Emp. Form.:
C21H21NO4
Mol. Mass.:
351.3957
SMILES:
COc1cc2occ(-c3cccc(c3)N3CCCC3)c(=O)c2cc1OC
Structure:
Search PDB for entries with ligand similarity: