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SMILES: Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccc(F)cc1F

InChI Key: InChIKey=SHNFUCKZPNTQET-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50234261   
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)		BDBM50234261
PNG
(CHEMBL4072352)
Show SMILES Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccc(F)cc1F
Show InChI InChI=1S/C21H15F2N3O/c22-14-7-9-15(17(23)12-14)20(26-18-5-1-2-10-24-18)16-8-6-13-4-3-11-25-19(13)21(16)27/h1-12,20,27H,(H,24,26)
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PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



U.S. Army Medical Research Institute of Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...

Bioorg Med Chem Lett 27: 675-678 (2017)


BindingDB Entry DOI: 10.7270/Q2NP26PM
More data for this
Ligand-Target Pair