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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 = 'BDBM50047148'   
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)		BDBM50047148
PNG
(CHEMBL3314557)
Show SMILES COCc1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
Show InChI InChI=1S/C18H22Cl2N4O5S/c1-8-12(19)13(20)14(21-8)16(25)22-9-4-5-24(6-11(9)29-3)18-23-10(7-28-2)15(30-18)17(26)27/h9,11,21H,4-7H2,1-3H3,(H,22,25)(H,26,27)/t9-,11+/m1/s1
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PC cid
PC sid
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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