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SMILES: CC(=O)c1ccccc1NC(=O)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=QFTKDGUBCGPCME-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50199478   
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
Shiga toxin subunit A


(Shigella dysenteriae)		BDBM50199478
PNG
(CHEMBL3917910)
Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N2O4/c1-10(18)13-4-2-3-5-14(13)16-15(19)11-6-8-12(9-7-11)17(20)21/h2-9H,1H3,(H,16,19)
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Article
PubMed
 5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...

J Med Chem 59: 10763-10773 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01517
BindingDB Entry DOI: 10.7270/Q2571DZG
More data for this
Ligand-Target Pair