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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50108429'   
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


(Homo sapiens (Human))		BDBM50108429
PNG
(Benzyl-(2-methoxy-phenyl)-dimethyl-ammonium; bromi...)
Show SMILES COc1ccccc1[N+](C)(C)Cc1ccccc1
Show InChI InChI=1S/C16H20NO/c1-17(2,13-14-9-5-4-6-10-14)15-11-7-8-12-16(15)18-3/h4-12H,13H2,1-3H3/q+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant AChE

Bioorg Med Chem Lett 12: 193-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CR5SP0
More data for this
Ligand-Target Pair