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Compile Data Set for Download or QSAR

Found 224 hits with Last Name = 'brvar' and Initial = 'm'   
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 A/B


(Staphylococcus aureus)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase assessed as supercoiling of relaxed pBR322 plasmid after 45 mins by ethidium bromide staining based ag...


Eur J Med Chem 117: 197-211 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.079
BindingDB Entry DOI: 10.7270/Q27946KH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 DNA as substrate after 3 hrs by DNA super-coiling assay


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence base...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase A/DNA gyrase B supercoiling activity using relaxed pNO1 DNA as substrate after 30 mins in presence of ...


Eur J Med Chem 130: 171-184 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.046
BindingDB Entry DOI: 10.7270/Q22N54KZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining based fl...


Eur J Med Chem 125: 500-514 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.040
BindingDB Entry DOI: 10.7270/Q27W6FNX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase assessed as supercoiling of relaxed pNO1 plasmid after 30 mins by SybrGOLD staining based fluorescence...


Eur J Med Chem 117: 197-211 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.079
BindingDB Entry DOI: 10.7270/Q27946KH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095149
PNG
(CHEMBL3589536)
Show SMILES OC(=O)CCC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
Show InChI InChI=1S/C16H11N3O5/c20-12(21)4-7-1-2-9-8(3-7)5-11-13(9)18-15(22)14-17-10(16(23)24)6-19(11)14/h1-3,6H,4-5H2,(H,18,22)(H,20,21)(H,23,24)
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n/an/a 49n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095147
PNG
(CHEMBL3589534)
Show SMILES OC(=O)C(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
Show InChI InChI=1S/C11H11N5O4/c17-10-11(18)14-7-4-9(16(19)20)8(3-6(7)13-10)15-2-1-12-5-15/h3-4,12H,1-2,5H2,(H,13,17)(H,14,18)
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n/an/a 58n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095148
PNG
(CHEMBL3589535)
Show SMILES OC(=O)CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
Show InChI InChI=1S/C17H13N3O5/c21-13(22)4-8-2-1-3-10-11(8)6-12-15(10)19-17(25)16-18-9(5-14(23)24)7-20(12)16/h1-3,7H,4-6H2,(H,19,25)(H,21,22)(H,23,24)
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n/an/a 69n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pBR322 DNA as substrate after 3 hrs by DNA super-coiling assay


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095290
PNG
(CHEMBL3589531)
Show SMILES COC(=O)CCC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
Show InChI InChI=1S/C17H12Cl2N6O/c1-26-10-2-3-11-12(4-10)17(25-9-21-8-22-25)24-23-16(11)5-13-14(18)6-20-7-15(13)19/h2-4,6-9H,5H2,1H3
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n/an/a 93n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095254
PNG
(CHEMBL3589530)
Show SMILES COC(=O)CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
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n/an/a 96n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095216
PNG
(CHEMBL3589529)
Show SMILES CCOC(=O)C(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
Show InChI InChI=1S/C16H16Br2N4O4S/c1-2-26-15(25)14(24)22-16-21-9-4-3-7(5-11(9)27-16)19-13(23)10-6-8(17)12(18)20-10/h6-7,20H,2-5H2,1H3,(H,19,23)(H,21,22,24)/t7-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095211
PNG
(CHEMBL3589079)
Show SMILES OC(=O)CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Cl)c(Cl)[nH]1 |r|
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n/an/a 130n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095159
PNG
(CHEMBL3589539)
Show SMILES CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
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n/an/a 150n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining ba...


Eur J Med Chem 125: 500-514 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.040
BindingDB Entry DOI: 10.7270/Q27W6FNX
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095212
PNG
(CHEMBL3589080)
Show SMILES OC(=O)CCC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Cl)c(Cl)[nH]1 |r|
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n/an/a 300n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095208
PNG
(CHEMBL3589076)
Show SMILES COC(=O)CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Cl)c(Cl)[nH]1 |r|
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n/an/a 400n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095206
PNG
(CHEMBL3589075)
Show SMILES CCOC(=O)C(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Cl)c(Cl)[nH]1 |r|
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n/an/a 400n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))
BDBM50259180
PNG
(CHEMBL4067687)
Show SMILES Cc1[nH]c(C(=O)NC2CCN(CC2)C(=O)CCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C15H19Cl2N3O4/c1-8-12(16)13(17)14(18-8)15(24)19-9-4-6-20(7-5-9)10(21)2-3-11(22)23/h9,18H,2-7H2,1H3,(H,19,24)(H,22,23)
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n/an/a 480n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining ba...


Eur J Med Chem 125: 500-514 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.040
BindingDB Entry DOI: 10.7270/Q27W6FNX
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095153
PNG
(CHEMBL3589537)
Show SMILES OC(=O)CC(=O)Nc1nc2CC[C@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
Show InChI InChI=1S/C25H31N5O8/c1-14(28-22(34)18(26)11-16-7-9-17(31)10-8-16)21(33)27-13-20(32)29-19(12-15-5-3-2-4-6-15)23(35)30-24(36)25(37)38/h2-10,14,18-19,24,31,36H,11-13,26H2,1H3,(H,27,33)(H,28,34)(H,29,32)(H,30,35)(H,37,38)/t14-,18-,19-,24?/m0/s1
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n/an/a 500n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095210
PNG
(CHEMBL3589078)
Show SMILES OC(=O)C(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Cl)c(Cl)[nH]1 |r|
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n/an/a 590n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095209
PNG
(CHEMBL3589077)
Show SMILES COC(=O)CCC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Cl)c(Cl)[nH]1 |r|
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n/an/a 890n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))
BDBM50259163
PNG
(CHEMBL4083521)
Show SMILES OC(=O)CCC(=O)N1CCC(CC1)NC(=O)c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C14H17Br2N3O4/c15-9-7-10(18-13(9)16)14(23)17-8-3-5-19(6-4-8)11(20)1-2-12(21)22/h7-8,18H,1-6H2,(H,17,23)(H,21,22)
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n/an/a 1.55E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining ba...


Eur J Med Chem 125: 500-514 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.040
BindingDB Entry DOI: 10.7270/Q27W6FNX
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095161
PNG
(CHEMBL3589541)
Show SMILES NC(=O)CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095286
PNG
(CHEMBL3589525)
Show SMILES COC(=O)CC(=O)Nc1ncc2CC(CCc2n1)NC(=O)c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C21H15Cl2N3O/c1-27-14-7-8-15-16(9-14)21(13-5-3-2-4-6-13)26-25-20(15)10-17-18(22)11-24-12-19(17)23/h2-9,11-12H,10H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))
BDBM50259194
PNG
(CHEMBL4075047)
Show SMILES Oc1ccc(cc1O)C(=O)N1CCC(CC1)NC(=O)c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C17H17Br2N3O4/c18-11-8-12(21-15(11)19)16(25)20-10-3-5-22(6-4-10)17(26)9-1-2-13(23)14(24)7-9/h1-2,7-8,10,21,23-24H,3-6H2,(H,20,25)
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n/an/a 2.84E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining ba...


Eur J Med Chem 125: 500-514 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.040
BindingDB Entry DOI: 10.7270/Q27W6FNX
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095284
PNG
(CHEMBL3589523)
Show SMILES Nc1ncc2CC(CCc2n1)NC(=O)c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C17H11Cl2N3O/c1-3-16-12-6-10(23-2)4-5-11(12)17(22-21-16)7-13-14(18)8-20-9-15(13)19/h1,4-6,8-9H,7H2,2H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))
BDBM50259209
PNG
(CHEMBL4087299)
Show SMILES OC(=O)CCCC(=O)N1CCC(CC1)NC(=O)c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C15H19Br2N3O4/c16-10-8-11(19-14(10)17)15(24)18-9-4-6-20(7-5-9)12(21)2-1-3-13(22)23/h8-9,19H,1-7H2,(H,18,24)(H,22,23)
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n/an/a 3.18E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining ba...


Eur J Med Chem 125: 500-514 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.040
BindingDB Entry DOI: 10.7270/Q27W6FNX
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))
BDBM50259201
PNG
(CHEMBL4089894)
Show SMILES CCOC(=O)C(=O)N1CCC(CC1)NC(=O)c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C14H17Br2N3O4/c1-2-23-14(22)13(21)19-5-3-8(4-6-19)17-12(20)10-7-9(15)11(16)18-10/h7-8,18H,2-6H2,1H3,(H,17,20)
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n/an/a 4.35E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining ba...


Eur J Med Chem 125: 500-514 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.040
BindingDB Entry DOI: 10.7270/Q27W6FNX
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095255
PNG
(CHEMBL3589521)
Show SMILES Nc1ncc2CC(CCc2n1)NC(=O)c1cc(Cl)c(Cl)[nH]1
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095168
PNG
(CHEMBL3589072)
Show SMILES OC(=O)CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc2ccccc2[nH]1 |r|
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n/an/a 7.60E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095167
PNG
(CHEMBL3589071)
Show SMILES OC(=O)C(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc2ccccc2[nH]1 |r|
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n/an/a 7.70E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))
BDBM50259185
PNG
(CHEMBL4072526)
Show SMILES Oc1ccc(cc1O)C(=O)N1CCC(CC1)NC(=O)c1cc(Cl)c(Cl)[nH]1
Show InChI InChI=1S/C17H17Cl2N3O4/c18-11-8-12(21-15(11)19)16(25)20-10-3-5-22(6-4-10)17(26)9-1-2-13(23)14(24)7-9/h1-2,7-8,10,21,23-24H,3-6H2,(H,20,25)
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n/an/a 8.08E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining ba...


Eur J Med Chem 125: 500-514 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.040
BindingDB Entry DOI: 10.7270/Q27W6FNX
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095169
PNG
(CHEMBL3589073)
Show SMILES OC(=O)CCC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc2ccccc2[nH]1 |r|
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n/an/a 8.10E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095166
PNG
(CHEMBL3589070)
Show SMILES COC(=O)CCC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc2ccccc2[nH]1 |r|
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095145
PNG
(CHEMBL3589532)
Show SMILES COC(=O)CC(=O)Nc1nc2CC[C@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
Show InChI InChI=1S/C15H11N3O3/c19-12(20)6-8-2-1-3-9-10(8)7-11-13(9)17-15(21)14-16-4-5-18(11)14/h1-5H,6-7H2,(H,17,21)(H,19,20)
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50095212
PNG
(CHEMBL3589080)
Show SMILES OC(=O)CCC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Cl)c(Cl)[nH]1 |r|
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence base...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095164
PNG
(CHEMBL3589544)
Show SMILES CCOC(=O)C(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc2ccccc2[nH]1 |r|
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))
BDBM50259210
PNG
(CHEMBL4077379)
Show SMILES OC(=O)CC(=O)N1CCC(CC1)NC(=O)c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C13H15Br2N3O4/c14-8-5-9(17-12(8)15)13(22)16-7-1-3-18(4-2-7)10(19)6-11(20)21/h5,7,17H,1-4,6H2,(H,16,22)(H,20,21)
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n/an/a 1.08E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining ba...


Eur J Med Chem 125: 500-514 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.040
BindingDB Entry DOI: 10.7270/Q27W6FNX
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))
BDBM50259197
PNG
(CHEMBL4077519)
Show SMILES COC(=O)CCCC(=O)N1CCC(CC1)NC(=O)c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C16H21Br2N3O4/c1-25-14(23)4-2-3-13(22)21-7-5-10(6-8-21)19-16(24)12-9-11(17)15(18)20-12/h9-10,20H,2-8H2,1H3,(H,19,24)
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n/an/a 1.12E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining ba...


Eur J Med Chem 125: 500-514 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.040
BindingDB Entry DOI: 10.7270/Q27W6FNX
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50238981
PNG
(CHEMBL4073079)
Show SMILES Cc1[nH]c(C(=O)Nc2ccc(Nc3nc(no3)C(O)=O)cc2)c(Cl)c1Cl
Show InChI InChI=1S/C15H11Cl2N5O4/c1-6-9(16)10(17)11(18-6)13(23)19-7-2-4-8(5-3-7)20-15-21-12(14(24)25)22-26-15/h2-5,18H,1H3,(H,19,23)(H,24,25)(H,20,21,22)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase A/DNA gyrase B supercoiling activity using relaxed pNO1 DNA as substrate after 30 mins in presence of ...


Eur J Med Chem 130: 171-184 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.046
BindingDB Entry DOI: 10.7270/Q22N54KZ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095160
PNG
(CHEMBL3589540)
Show SMILES Brc1cc([nH]c1Br)C(=O)N[C@H]1CCC2=C(C1)SC1=NC(=O)CCN21 |r,c:14,t:19|
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095204
PNG
(CHEMBL3589074)
Show SMILES Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Cl)c(Cl)[nH]1 |r|
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095287
PNG
(CHEMBL3085880)
Show SMILES Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c(Br)[nH]1 |r|
Show InChI InChI=1S/C18H12Cl2N4OS/c1-25-10-2-3-11-12(6-10)17(18-22-4-5-26-18)24-23-16(11)7-13-14(19)8-21-9-15(13)20/h2-6,8-9H,7H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))
BDBM50259199
PNG
(CHEMBL4098045)
Show SMILES COC(=O)CC(=O)N1CCC(CC1)NC(=O)c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C14H17Br2N3O4/c1-23-12(21)7-11(20)19-4-2-8(3-5-19)17-14(22)10-6-9(15)13(16)18-10/h6,8,18H,2-5,7H2,1H3,(H,17,22)
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n/an/a 1.37E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining ba...


Eur J Med Chem 125: 500-514 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.040
BindingDB Entry DOI: 10.7270/Q27W6FNX
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50095158
PNG
(CHEMBL3589538)
Show SMILES OC(=O)CC(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1cc(Br)c[nH]1 |r|
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA...


J Med Chem 58: 5501-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00489
BindingDB Entry DOI: 10.7270/Q2MP551H
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))
BDBM50259170
PNG
(CHEMBL4103680)
Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C18H17Br2N3O4/c19-13-9-14(22-15(13)20)16(24)21-12-5-7-23(8-6-12)17(25)10-1-3-11(4-2-10)18(26)27/h1-4,9,12,22H,5-8H2,(H,21,24)(H,26,27)
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n/an/a 1.49E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining ba...


Eur J Med Chem 125: 500-514 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.040
BindingDB Entry DOI: 10.7270/Q27W6FNX
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))
BDBM50259172
PNG
(CHEMBL4081342)
Show SMILES OC(=O)CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Br)c(Br)[nH]1 |r,wU:10.13,wD:7.6,(25.55,-17.18,;26.32,-15.85,;27.86,-15.85,;25.55,-14.51,;24.01,-14.51,;23.24,-13.18,;24.01,-11.85,;21.7,-13.18,;20.93,-11.85,;19.39,-11.85,;18.62,-13.18,;19.39,-14.51,;20.93,-14.51,;17.08,-13.18,;16.31,-11.85,;17.08,-10.51,;14.77,-11.85,;13.86,-13.1,;12.39,-12.62,;11.15,-13.52,;12.39,-11.08,;11.15,-10.17,;13.86,-10.6,)|
Show InChI InChI=1S/C14H17Br2N3O4/c15-9-5-10(19-12(9)16)14(23)18-8-3-1-7(2-4-8)13(22)17-6-11(20)21/h5,7-8,19H,1-4,6H2,(H,17,22)(H,18,23)(H,20,21)/t7-,8-
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n/an/a 1.51E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining ba...


Eur J Med Chem 125: 500-514 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.040
BindingDB Entry DOI: 10.7270/Q27W6FNX
More data for this
Ligand-Target Pair
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