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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 4'   
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 topoisomerase 4


(Staphylococcus aureus)
BDBM50393079
PNG
(CHEMBL2152855 | US9040542, 23)
Show SMILES CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)O |r|
Show InChI InChI=1S/C21H25FN6O3/c1-4-23-20(29)28-19-26-13-8-12(11-9-24-18(25-10-11)21(2,3)30)16(22)15(17(13)27-19)14-6-5-7-31-14/h8-10,14,30H,4-7H2,1-3H3,(H3,23,26,27,28,29)/t14-/m1/s1
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US Patent
12n/an/an/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
The conversion of ATP to ADP by S. aureus TopoIV enzyme is coupled to the conversion of NADH to NAD+, and the progress of the reaction is measured by...


US Patent US9040542 (2015)


BindingDB Entry DOI: 10.7270/Q2F18XHX
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B (parE)


(Staphylococcus aureus)
BDBM50393079
PNG
(CHEMBL2152855 | US9040542, 23)
Show SMILES CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)O |r|
Show InChI InChI=1S/C21H25FN6O3/c1-4-23-20(29)28-19-26-13-8-12(11-9-24-18(25-10-11)21(2,3)30)16(22)15(17(13)27-19)14-6-5-7-31-14/h8-10,14,30H,4-7H2,1-3H3,(H3,23,26,27,28,29)/t14-/m1/s1
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA topoisomerase 4 Par E subunit by ATPase assay


ACS Med Chem Lett 3: 783-784 (2012)


Article DOI: 10.1021/ml300234y
BindingDB Entry DOI: 10.7270/Q2N29Z1N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B (parE)


(Staphylococcus aureus)
BDBM50393080
PNG
(CHEMBL2152856)
Show SMILES CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)OP([O-])([O-])=O |r|
Show InChI InChI=1S/C21H26FN6O6P/c1-4-23-20(29)28-19-26-13-8-12(16(22)15(17(13)27-19)14-6-5-7-33-14)11-9-24-18(25-10-11)21(2,3)34-35(30,31)32/h8-10,14H,4-7H2,1-3H3,(H2,30,31,32)(H3,23,26,27,28,29)/p-2/t14-/m1/s1
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA topoisomerase 4 Par E subunit by ATPase assay


ACS Med Chem Lett 3: 783-784 (2012)


Article DOI: 10.1021/ml300234y
BindingDB Entry DOI: 10.7270/Q2N29Z1N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B (parE)


(Staphylococcus aureus)
BDBM50058509
PNG
(CHEMBL3329317)
Show SMILES CCNC(=O)Nc1cc(Nc2ccc(O)cc2)c(cn1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C20H20N6O3/c1-2-22-20(29)26-18-10-17(24-13-5-7-15(27)8-6-13)16(12-23-18)19(28)25-14-4-3-9-21-11-14/h3-12,27H,2H2,1H3,(H,25,28)(H3,22,23,24,26,29)
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n/an/a 86n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ParE


Eur J Med Chem 86: 31-8 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.025
BindingDB Entry DOI: 10.7270/Q2S75J0P
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B (parE)


(Staphylococcus aureus)
BDBM50393080
PNG
(CHEMBL2152856)
Show SMILES CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)OP([O-])([O-])=O |r|
Show InChI InChI=1S/C21H26FN6O6P/c1-4-23-20(29)28-19-26-13-8-12(16(22)15(17(13)27-19)14-6-5-7-33-14)11-9-24-18(25-10-11)21(2,3)34-35(30,31)32/h8-10,14H,4-7H2,1-3H3,(H2,30,31,32)(H3,23,26,27,28,29)/p-2/t14-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA topoisomerase 4 Par E subunit by ATPase assay


ACS Med Chem Lett 3: 783-784 (2012)


Article DOI: 10.1021/ml300234y
BindingDB Entry DOI: 10.7270/Q2N29Z1N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B (parE)


(Staphylococcus aureus)
BDBM50173879
PNG
(CHEMBL3810359)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21)
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n/an/a 183n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA parE ATPase activity incubated for 30 mins by fluorescence polarization assay


ACS Med Chem Lett 7: 374-8 (2016)


BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B (parE)


(Staphylococcus aureus)
BDBM50173878
PNG
(CHEMBL3809316)
Show SMILES CCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C16H13N5OS/c1-2-21-13(22)6-5-11-14(19-20-15(11)21)12-9-18-16(23-12)10-4-3-7-17-8-10/h3-9H,2H2,1H3,(H,19,20)
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n/an/a 746n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA parE ATPase activity incubated for 30 mins by fluorescence polarization assay


ACS Med Chem Lett 7: 374-8 (2016)


BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA Topoisomerase IV Subunit B


(Escherichia coli (strain K12))
BDBM50058511
PNG
(CHEMBL3329318)
Show SMILES CCNC(=O)Nc1cc(Nc2cccc(O)c2)c(cn1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C20H20N6O3/c1-2-22-20(29)26-18-10-17(24-13-5-3-7-15(27)9-13)16(12-23-18)19(28)25-14-6-4-8-21-11-14/h3-12,27H,2H2,1H3,(H,25,28)(H3,22,23,24,26,29)
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n/an/a 780n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 86: 31-8 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.025
BindingDB Entry DOI: 10.7270/Q2S75J0P
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B (parE)


(Staphylococcus aureus)
BDBM50058510
PNG
(CHEMBL3329319)
Show SMILES CCNC(=O)Nc1cc(Nc2ccc(OC)cc2OC)c(cn1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C22H24N6O4/c1-4-24-22(30)28-20-11-18(27-17-8-7-15(31-2)10-19(17)32-3)16(13-25-20)21(29)26-14-6-5-9-23-12-14/h5-13H,4H2,1-3H3,(H,26,29)(H3,24,25,27,28,30)
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n/an/a 800n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ParE


Eur J Med Chem 86: 31-8 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.025
BindingDB Entry DOI: 10.7270/Q2S75J0P
More data for this
Ligand-Target Pair
DNA Topoisomerase IV Subunit B


(Escherichia coli (strain K12))
BDBM50058509
PNG
(CHEMBL3329317)
Show SMILES CCNC(=O)Nc1cc(Nc2ccc(O)cc2)c(cn1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C20H20N6O3/c1-2-22-20(29)26-18-10-17(24-13-5-7-15(27)8-6-13)16(12-23-18)19(28)25-14-4-3-9-21-11-14/h3-12,27H,2H2,1H3,(H,25,28)(H3,22,23,24,26,29)
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n/an/a 940n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 86: 31-8 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.025
BindingDB Entry DOI: 10.7270/Q2S75J0P
More data for this
Ligand-Target Pair
DNA Topoisomerase IV Subunit B


(Escherichia coli (strain K12))
BDBM50058510
PNG
(CHEMBL3329319)
Show SMILES CCNC(=O)Nc1cc(Nc2ccc(OC)cc2OC)c(cn1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C22H24N6O4/c1-4-24-22(30)28-20-11-18(27-17-8-7-15(31-2)10-19(17)32-3)16(13-25-20)21(29)26-14-6-5-9-23-12-14/h5-13H,4H2,1-3H3,(H,26,29)(H3,24,25,27,28,30)
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 86: 31-8 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.025
BindingDB Entry DOI: 10.7270/Q2S75J0P
More data for this
Ligand-Target Pair