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SMILES: ONC(=O)\C=C\c1ccc(cc1Cl)N1CCOCC1

InChI Key: InChIKey=UMKSNUNTLTZLMW-DUXPYHPUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50383546   
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)		BDBM50383546
PNG
(CHEMBL2032267)
Show SMILES ONC(=O)\C=C\c1ccc(cc1Cl)N1CCOCC1
Show InChI InChI=1S/C13H15ClN2O3/c14-12-9-11(16-5-7-19-8-6-16)3-1-10(12)2-4-13(17)15-18/h1-4,9,18H,5-8H2,(H,15,17)/b4-2+
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PC cid
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Article
PubMed
n/an/a 3.50E+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