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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 = 'BDBM50408191'   
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))
BDBM50408191
PNG
(CHEMBL4163243)
Show SMILES C[C@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OCCN)c1)c1n[nH]c(=O)o1 |r|
Show InChI InChI=1S/C19H20Cl2N6O5/c1-8-13(20)14(21)15(23-8)17(29)25-11-4-3-10(7-12(11)31-6-5-22)16(28)24-9(2)18-26-27-19(30)32-18/h3-4,7,9,23H,5-6,22H2,1-2H3,(H,24,28)(H,25,29)(H,27,30)/t9-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal His6-tagged DNA gyrase B expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by ATP a...


Eur J Med Chem 154: 117-132 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.011
BindingDB Entry DOI: 10.7270/Q2CV4M9N
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50408191
PNG
(CHEMBL4163243)
Show SMILES C[C@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OCCN)c1)c1n[nH]c(=O)o1 |r|
Show InChI InChI=1S/C19H20Cl2N6O5/c1-8-13(20)14(21)15(23-8)17(29)25-11-4-3-10(7-12(11)31-6-5-22)16(28)24-9(2)18-26-27-19(30)32-18/h3-4,7,9,23H,5-6,22H2,1-2H3,(H,24,28)(H,25,29)(H,27,30)/t9-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B preincubated for 10 mins followed by ATP addition measured after 30 mins by purine nucleoside phosph...


Eur J Med Chem 154: 117-132 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.011
BindingDB Entry DOI: 10.7270/Q2CV4M9N
More data for this
Ligand-Target Pair