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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit A/B' and Ligand = 'BDBM50266347'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50266347
PNG
(CHEMBL4070524)
Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCO)c2cn1)-c1ccncc1
Show InChI InChI=1S/C21H23N5O4/c1-2-23-20(28)26-19-11-17-16(14-5-7-22-8-6-14)4-3-15(18(17)13-24-19)12-25-21(29)30-10-9-27/h3-8,11,13,27H,2,9-10,12H2,1H3,(H,25,29)(H2,23,24,26,28)
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a<4n/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