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

InChI Key: InChIKey=USABNRUSMYNPRU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50266375   
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)		BDBM50266375
PNG
(CHEMBL4100423)
Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(C)=O)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C21H23N5O2/c1-4-22-21(28)26-20-10-18-17(15-7-8-23-13(2)9-15)6-5-16(11-24-14(3)27)19(18)12-25-20/h5-10,12H,4,11H2,1-3H3,(H,24,27)(H2,22,25,26,28)
PDB
MMDB

KEGG

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PC cid
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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