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

InChI Key: InChIKey=SUUQDWDDUCAXHF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50266349   
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)		BDBM50266349
PNG
(CHEMBL4092234)
Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCNCC(C)(C)C)c2cn1)-c1ccncc1
Show InChI InChI=1S/C26H34N6O3/c1-5-29-24(33)32-23-14-21-20(18-8-10-27-11-9-18)7-6-19(22(21)16-30-23)15-31-25(34)35-13-12-28-17-26(2,3)4/h6-11,14,16,28H,5,12-13,15,17H2,1-4H3,(H,31,34)(H2,29,30,32,33)
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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