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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50169863'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50169863
PNG
(5,6-Dimethoxy-2-(4-piperidin-1-ylmethyl-phenoxy)-i...)
Show SMILES COc1cc2CC(Oc3ccc(CN4CCCCC4)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27NO4/c1-26-20-12-17-13-22(23(25)19(17)14-21(20)27-2)28-18-8-6-16(7-9-18)15-24-10-4-3-5-11-24/h6-9,12,14,22H,3-5,10-11,13,15H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat cortex acetylcholinesterase


Bioorg Med Chem Lett 15: 3834-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.132
BindingDB Entry DOI: 10.7270/Q27H1KBV
More data for this
Ligand-Target Pair