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SMILES: COc1cncc(c1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1

InChI Key: InChIKey=WDIBBQANASKNHL-SNAWJCMRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50383549   
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)		BDBM50383549
PNG
(CHEMBL2032271)
Show SMILES COc1cncc(c1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
Show InChI InChI=1S/C15H13ClN2O3/c1-21-13-6-12(8-17-9-13)11-3-2-10(14(16)7-11)4-5-15(19)18-20/h2-9,20H,1H3,(H,18,19)/b5-4+
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n/an/a 3.53E+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