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Target
Carboxylic ester hydrolase
Ligand
BDBM50169857
Substrate
n/a
Meas. Tech.
ChEMBL_305980 (CHEMBL832145)
IC50
251000±n/a nM
Citation
 Sheng, R; Lin, X; Li, J; Jiang, Y; Shang, Z; Hu, Y Design, synthesis, and evaluation of 2-phenoxy-indan-1-one derivatives as acetylcholinesterase inhibitors. Bioorg Med Chem Lett 15:3834-7 (2005) [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:
BDBM50169857
Synonyms:
2-(4-Diethylaminomethyl-phenoxy)-5,6-dimethoxy-indan-1-one | CHEMBL180437
Type:
Small organic molecule
Emp. Form.:
C22H27NO4
Mol. Mass.:
369.4541
SMILES:
CCN(CC)Cc1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
Structure:
Search PDB for entries with ligand similarity: