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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 = 'BDBM50047140'   
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)
BDBM50047140
PNG
(CHEMBL3314556)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(CO)c(s1)C(O)=O |r|
Show InChI InChI=1/C17H20Cl2N4O5S/c1-7-11(18)12(19)13(20-7)15(25)21-8-3-4-23(5-10(8)28-2)17-22-9(6-24)14(29-17)16(26)27/h8,10,20,24H,3-6H2,1-2H3,(H,21,25)(H,26,27)/t8-,10+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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