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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50179309   
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))		BDBM50179309
PNG
(7-benzyl-5,6,7,8-tetrahydro-2-isopropylamino-4H-py...)
Show SMILES CC(C)Nc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)s1
Show InChI InChI=1S/C19H21N3OS2/c1-12(2)20-19-21-17-16(18(23)25-19)14-8-9-22(11-15(14)24-17)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,20,21)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 580n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibitory activity AChE from Electrophorus electricus using ATCh substrate and DTNB by spectrophotometry

J Med Chem 48: 8270-88 (2005)


Article DOI: 10.1021/jm0508639
BindingDB Entry DOI: 10.7270/Q2GQ6XB4
More data for this
Ligand-Target Pair