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SMILES: CN(C)c1ccc(cn1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1

InChI Key: InChIKey=PZMLRWUSJWAIAG-SOFGYWHQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50383559   
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)		BDBM50383559
PNG
(CHEMBL2032390)
Show SMILES CN(C)c1ccc(cn1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
Show InChI InChI=1S/C16H16ClN3O2/c1-20(2)15-7-5-13(10-18-15)12-4-3-11(14(17)9-12)6-8-16(21)19-22/h3-10,22H,1-2H3,(H,19,21)/b8-6+
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PubMed
n/an/a 7.32E+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