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SMILES: CCNC(=O)Nc1cn(-c2ncc(C)c(CCC(O)=O)n2)c2cc(cnc12)-c1cccnc1

InChI Key: InChIKey=YPMBAKPUYADMEW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50499045   
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 B


(Staphylococcus aureus)		BDBM50499045
PNG
(CHEMBL3736253)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(C)c(CCC(O)=O)n2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C23H23N7O3/c1-3-25-23(33)29-18-13-30(22-27-10-14(2)17(28-22)6-7-20(31)32)19-9-16(12-26-21(18)19)15-5-4-8-24-11-15/h4-5,8-13H,3,6-7H2,1-2H3,(H,31,32)(H2,25,29,33)
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA GyraseB ATPase activity using linear pBR322 DNA as substrate incubated for 30 mins by fluorescence polarizati...

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair