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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit B' and Ligand = 'BDBM50047312'   
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 B


(Staphylococcus aureus)		BDBM50047312
PNG
(CHEMBL3313938)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cncnc1 |r|
Show InChI InChI=1S/C20H20Cl2N6O4S/c1-9-13(21)14(22)16(25-9)18(29)26-11-3-4-28(7-12(11)32-2)20-27-15(17(33-20)19(30)31)10-5-23-8-24-6-10/h5-6,8,11-12,25H,3-4,7H2,1-2H3,(H,26,29)(H,30,31)/t11-,12+/m1/s1
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Similars
Article
PubMed
n/an/a<10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Staphylococcus aureus GyrB

J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair