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SMILES: CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCNC)c2cn1)-c1ccncc1

InChI Key: InChIKey=IHSQMSICYAUMDD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50266346   
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)		BDBM50266346
PNG
(CHEMBL4077466)
Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCNC)c2cn1)-c1ccncc1
Show InChI InChI=1S/C22H26N6O3/c1-3-25-21(29)28-20-12-18-17(15-6-8-24-9-7-15)5-4-16(19(18)14-26-20)13-27-22(30)31-11-10-23-2/h4-9,12,14,23H,3,10-11,13H2,1-2H3,(H,27,30)(H2,25,26,28,29)
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Article
PubMed
n/an/a 30n/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