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SMILES: CCNC(=O)Nc1cc2c(ccc(CNC(=O)OC3CCNCC3(F)F)c2cn1)-c1ccnc(C)c1

InChI Key: InChIKey=CEDOAZZFPILAKJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50266350   
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
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50266350
PNG
(CHEMBL4091332)
Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OC3CCNCC3(F)F)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C25H28F2N6O3/c1-3-29-23(34)33-22-11-19-18(16-6-9-30-15(2)10-16)5-4-17(20(19)13-31-22)12-32-24(35)36-21-7-8-28-14-25(21,26)27/h4-6,9-11,13,21,28H,3,7-8,12,14H2,1-2H3,(H,32,35)(H2,29,31,33,34)
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Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...

J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair