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SMILES: Cn1cncc1-c1ccc(\C=C\C(=O)NO)c(Cl)c1

InChI Key: InChIKey=VPLDCPLLFWJGIN-SNAWJCMRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50383564   
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)		BDBM50383564
PNG
(CHEMBL2032395)
Show SMILES Cn1cncc1-c1ccc(\C=C\C(=O)NO)c(Cl)c1
Show InChI InChI=1S/C13H12ClN3O2/c1-17-8-15-7-12(17)10-3-2-9(11(14)6-10)4-5-13(18)16-19/h2-8,19H,1H3,(H,16,18)/b5-4+
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n/an/a 2.23E+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