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SMILES: CS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1

InChI Key: InChIKey=VSWGLESYJOCTMY-RMKNXTFCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50383541   
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
Botulinum neurotoxin type A


(Clostridium botulinum)		BDBM50383541
PNG
(CHEMBL2032262)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
Show InChI InChI=1S/C16H14ClNO4S/c1-23(21,22)14-7-4-11(5-8-14)13-3-2-12(15(17)10-13)6-9-16(19)18-20/h2-10,20H,1H3,(H,18,19)/b9-6+
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n/an/a 1.54E+4n/an/an/an/an/an/a



Fox Chase Chemical Diversity Center

Curated by ChEMBL


Assay Description
Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis

Bioorg Med Chem Lett 22: 3754-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.019
BindingDB Entry DOI: 10.7270/Q21C1XWX
More data for this
Ligand-Target Pair