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SMILES: CCNC(=O)Nc1cn(-c2ncc(Br)cn2)c2cc(cnc12)-c1ccn(CCO)c(=O)c1

InChI Key: InChIKey=HMINUNKKLNSQRF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50499015   
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)		BDBM50499015
PNG
(CHEMBL3736321)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(Br)cn2)c2cc(cnc12)-c1ccn(CCO)c(=O)c1
Show InChI InChI=1S/C21H20BrN7O3/c1-2-23-21(32)27-16-12-29(20-25-10-15(22)11-26-20)17-7-14(9-24-19(16)17)13-3-4-28(5-6-30)18(31)8-13/h3-4,7-12,30H,2,5-6H2,1H3,(H2,23,27,32)
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n/an/a 8n/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