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SMILES: CCNC(=O)Nc1cc2c(ccc(Cc3cccc(c3)C(O)=O)c2cn1)-c1ccnc(C)c1

InChI Key: InChIKey=SPSUUIZYXVETJI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50266352   
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)		BDBM50266352
PNG
(CHEMBL4086015)
Show SMILES CCNC(=O)Nc1cc2c(ccc(Cc3cccc(c3)C(O)=O)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C26H24N4O3/c1-3-27-26(33)30-24-14-22-21(19-9-10-28-16(2)11-19)8-7-18(23(22)15-29-24)12-17-5-4-6-20(13-17)25(31)32/h4-11,13-15H,3,12H2,1-2H3,(H,31,32)(H2,27,29,30,33)
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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