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SMILES: NS(=O)(=O)c1ccc(NC(=O)CSc2nnc3c4ccccc4n(CC=C)c3n2)cc1

InChI Key: InChIKey=MXKWZTHNLYUULM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50381148   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50381148
PNG
(CHEMBL2018208)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nnc3c4ccccc4n(CC=C)c3n2)cc1
Show InChI InChI=1S/C20H18N6O3S2/c1-2-11-26-16-6-4-3-5-15(16)18-19(26)23-20(25-24-18)30-12-17(27)22-13-7-9-14(10-8-13)31(21,28)29/h2-10H,1,11-12H2,(H,22,27)(H2,21,28,29)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem Lett 22: 3181-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.046
BindingDB Entry DOI: 10.7270/Q2Z60Q2Z
More data for this
Ligand-Target Pair