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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit B' and Ligand = 'BDBM50198298'   
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


(Escherichia coli (strain K12))
BDBM50198298
PNG
(CHEMBL3917447)
Show SMILES COC(=O)CC(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1
Show InChI InChI=1S/C16H12Cl2N4O4S/c1-26-13(24)6-12(23)19-7-2-3-9-11(4-7)27-16(21-9)22-15(25)10-5-8(17)14(18)20-10/h2-5,20H,6H2,1H3,(H,19,23)(H,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...


J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50198298
PNG
(CHEMBL3917447)
Show SMILES COC(=O)CC(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1
Show InChI InChI=1S/C16H12Cl2N4O4S/c1-26-13(24)6-12(23)19-7-2-3-9-11(4-7)27-16(21-9)22-15(25)10-5-8(17)14(18)20-10/h2-5,20H,6H2,1H3,(H,19,23)(H,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...


J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair