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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50273380'   
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


(Electrophorus electricus (Electric eel))		BDBM50273380
PNG
(9-[N(theta)-(2'-(Nitrooxy)ethyl)-theta-aminooctyla...)
Show SMILES [O-][N+](=O)OCCNCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C23H34N4O3/c28-27(29)30-18-17-24-15-9-3-1-2-4-10-16-25-23-19-11-5-7-13-21(19)26-22-14-8-6-12-20(22)23/h5,7,11,13,24H,1-4,6,8-10,12,14-18H2,(H,25,26)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Friedrich Schiller University Jena

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE

J Med Chem 51: 7666-9 (2008)


Article DOI: 10.1021/jm801131a
BindingDB Entry DOI: 10.7270/Q2TT4QSV
More data for this
Ligand-Target Pair