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Compile Data Set for Download or QSAR

Found 636 hits of ic50 for UniProtKB: A0A068A4Y4   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50047345
PNG
(CHEMBL3314588)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cncc(NCCN2CCN(C)CC2)n1
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n/an/a 1.20n/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
DNA Gyrase


(Staphylococcus aureus)
BDBM50274128
PNG
(CHEMBL4127899)
Show SMILES COc1cc2OC(C)(C)CC(=O)c2c(O)c1C(C)=O
Show InChI InChI=1S/C14H16O5/c1-7(15)11-9(18-4)5-10-12(13(11)17)8(16)6-14(2,3)19-10/h5,17H,6H2,1-4H3
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n/an/a 1.90n/an/an/an/an/an/a



Bharathiar University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis


Bioorg Med Chem 26: 3438-3452 (2018)


Article DOI: 10.1016/j.bmc.2018.05.016
BindingDB Entry DOI: 10.7270/Q2125W5H
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50274145
PNG
(CHEMBL4127930)
Show SMILES COc1cc(OC)c(C(C)=O)c2OC(C)(C)C(O)C(Br)c12
Show InChI InChI=1S/C15H19BrO5/c1-7(17)10-8(19-4)6-9(20-5)11-12(16)14(18)15(2,3)21-13(10)11/h6,12,14,18H,1-5H3
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n/an/a 1.90n/an/an/an/an/an/a



Bharathiar University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis


Bioorg Med Chem 26: 3438-3452 (2018)


Article DOI: 10.1016/j.bmc.2018.05.016
BindingDB Entry DOI: 10.7270/Q2125W5H
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50274133
PNG
(CHEMBL4129139)
Show SMILES COc1cc2OC(C)(C)[C@@H](O)[C@@H](O)c2c(OC)c1C(C)=O
Show InChI InChI=1S/C15H20O6/c1-7(16)10-8(19-4)6-9-11(13(10)20-5)12(17)14(18)15(2,3)21-9/h6,12,14,17-18H,1-5H3/t12-,14-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Bharathiar University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis


Bioorg Med Chem 26: 3438-3452 (2018)


Article DOI: 10.1016/j.bmc.2018.05.016
BindingDB Entry DOI: 10.7270/Q2125W5H
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50274134
PNG
(CHEMBL4128711)
Show SMILES COc1cc(OC)c(C(C)=O)c2OC(C)(C)[C@@H](O)[C@@H](O)c12
Show InChI InChI=1S/C15H20O6/c1-7(16)10-8(19-4)6-9(20-5)11-12(17)14(18)15(2,3)21-13(10)11/h6,12,14,17-18H,1-5H3/t12-,14-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Bharathiar University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis


Bioorg Med Chem 26: 3438-3452 (2018)


Article DOI: 10.1016/j.bmc.2018.05.016
BindingDB Entry DOI: 10.7270/Q2125W5H
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50274136
PNG
(CHEMBL4126781)
Show SMILES COC1C(Cl)c2c(OC)c(Cl)c(OC)c(C(C)=O)c2OC1(C)C
Show InChI InChI=1S/C16H20Cl2O5/c1-7(19)8-12-9(14(21-5)11(18)13(8)20-4)10(17)15(22-6)16(2,3)23-12/h10,15H,1-6H3
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Bharathiar University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis


Bioorg Med Chem 26: 3438-3452 (2018)


Article DOI: 10.1016/j.bmc.2018.05.016
BindingDB Entry DOI: 10.7270/Q2125W5H
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50274126
PNG
(CHEMBL4127938)
Show SMILES COc1c(Br)c(OC)c(C(C)=O)c2OC(C)(C)C=Cc12
Show InChI InChI=1S/C15H17BrO4/c1-8(17)10-12-9(6-7-15(2,3)20-12)13(18-4)11(16)14(10)19-5/h6-7H,1-5H3
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n/an/a 1.90n/an/an/an/an/an/a



Bharathiar University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis


Bioorg Med Chem 26: 3438-3452 (2018)


Article DOI: 10.1016/j.bmc.2018.05.016
BindingDB Entry DOI: 10.7270/Q2125W5H
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50274129
PNG
(CHEMBL4126667)
Show SMILES COC1C(Br)c2c(OC)c(Br)c(OC)c(C(C)=O)c2OC1(C)C
Show InChI InChI=1S/C16H20Br2O5/c1-7(19)8-12-9(14(21-5)11(18)13(8)20-4)10(17)15(22-6)16(2,3)23-12/h10,15H,1-6H3
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n/an/a 1.90n/an/an/an/an/an/a



Bharathiar University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis


Bioorg Med Chem 26: 3438-3452 (2018)


Article DOI: 10.1016/j.bmc.2018.05.016
BindingDB Entry DOI: 10.7270/Q2125W5H
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50388101
PNG
(CHEMBL2059380)
Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cc(cnc1OC)-c1n[nH]c(=O)o1)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N8O4/c1-3-26-18(34)14-7-12-16(33-5-4-15(32-33)22(23,24)25)13(9-27-17(12)29-14)11-6-10(8-28-20(11)36-2)19-30-31-21(35)37-19/h4-9H,3H2,1-2H3,(H,26,34)(H,27,29)(H,31,35)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50494813
PNG
(CHEMBL3094348)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1ccc(nc1)C(O)=O
Show InChI InChI=1S/C21H17N5O3S/c1-2-22-20(29)26-21-25-17-10-13(12-6-7-16(19(27)28)24-11-12)9-14(18(17)30-21)15-5-3-4-8-23-15/h3-11H,2H2,1H3,(H,27,28)(H2,22,25,26,29)
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n/an/a 2.38n/an/an/an/an/an/a



Biota Holdings Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay


Bioorg Med Chem Lett 23: 6598-603 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.058
BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50274135
PNG
(CHEMBL4129934)
Show SMILES COc1cc(OS(=O)(=O)C(F)(F)F)c2C=CC(C)(C)Oc2c1C(C)=O
Show InChI InChI=1S/C15H15F3O6S/c1-8(19)12-11(22-4)7-10(24-25(20,21)15(16,17)18)9-5-6-14(2,3)23-13(9)12/h5-7H,1-4H3
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n/an/a 2.5n/an/an/an/an/an/a



Bharathiar University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis


Bioorg Med Chem 26: 3438-3452 (2018)


Article DOI: 10.1016/j.bmc.2018.05.016
BindingDB Entry DOI: 10.7270/Q2125W5H
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50274127
PNG
(CHEMBL4129335)
Show SMILES COC1C(Cl)c2c(O)c(Cl)c(OC)c(C(C)=O)c2OC1(C)C
Show InChI InChI=1S/C15H18Cl2O5/c1-6(18)7-12-8(11(19)10(17)13(7)20-4)9(16)14(21-5)15(2,3)22-12/h9,14,19H,1-5H3
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n/an/a 3.5n/an/an/an/an/an/a



Bharathiar University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis


Bioorg Med Chem 26: 3438-3452 (2018)


Article DOI: 10.1016/j.bmc.2018.05.016
BindingDB Entry DOI: 10.7270/Q2125W5H
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173889
PNG
(CHEMBL3809400)
Show SMILES C=CCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C17H13N5OS/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/h2-7,9-10H,1,8H2,(H,20,21)
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n/an/a 4n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


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


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50358854
PNG
(CHEMBL1923440)
Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2F)c2ncc(s2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C15H15Cl2FN4O3S/c1-6-10(16)11(17)12(20-6)13(23)21-8-2-3-22(5-7(8)18)15-19-4-9(26-15)14(24)25/h4,7-8,20H,2-3,5H2,1H3,(H,21,23)(H,24,25)/t7-,8+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of recombinant Staphylococcus aureus DNA gyrase B hybrid tetramer enzyme reconstituted from Escherichia coli GyrA by am...


Bioorg Med Chem Lett 21: 7416-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.010
BindingDB Entry DOI: 10.7270/Q2RB7512
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50388100
PNG
(CHEMBL2059379)
Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cnc(OC)c(c1)-c1n[nH]c(=O)o1)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N8O4/c1-3-26-18(34)14-7-11-16(33-5-4-15(32-33)22(23,24)25)13(9-27-17(11)29-14)10-6-12(19(36-2)28-8-10)20-30-31-21(35)37-20/h4-9H,3H2,1-2H3,(H,26,34)(H,27,29)(H,31,35)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266345
PNG
(CHEMBL4094690)
Show SMILES Cl.CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCN3CCOCC3)c2cn1)-c1ccncc1
Show InChI InChI=1S/C25H30N6O4/c1-2-27-24(32)30-23-15-21-20(18-5-7-26-8-6-18)4-3-19(22(21)17-28-23)16-29-25(33)35-14-11-31-9-12-34-13-10-31/h3-8,15,17H,2,9-14,16H2,1H3,(H,29,33)(H2,27,28,30,32)
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n/an/a<4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
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<4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


Bioorg Med Chem Lett 22: 7127-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.071
BindingDB Entry DOI: 10.7270/Q2NP2793
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA Gyrase


(Staphylococcus aureus)
BDBM50266348
PNG
(CHEMBL4064539)
Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OC)c2cn1)-c1ccncc1
Show InChI InChI=1S/C20H21N5O3/c1-3-22-19(26)25-18-10-16-15(13-6-8-21-9-7-13)5-4-14(17(16)12-23-18)11-24-20(27)28-2/h4-10,12H,3,11H2,1-2H3,(H,24,27)(H2,22,23,25,26)
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266374
PNG
(CHEMBL4099469)
Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)C3CC3)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C23H25N5O2/c1-3-24-23(30)28-21-11-19-18(16-8-9-25-14(2)10-16)7-6-17(20(19)13-26-21)12-27-22(29)15-4-5-15/h6-11,13,15H,3-5,12H2,1-2H3,(H,27,29)(H2,24,26,28,30)
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n/an/a<4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266393
PNG
(CHEMBL4099988)
Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OC(C)C)c2cn1)-c1ccncc1
Show InChI InChI=1S/C22H25N5O3/c1-4-24-21(28)27-20-11-18-17(15-7-9-23-10-8-15)6-5-16(19(18)13-25-20)12-26-22(29)30-14(2)3/h5-11,13-14H,4,12H2,1-3H3,(H,26,29)(H2,24,25,27,28)
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266347
PNG
(CHEMBL4070524)
Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCO)c2cn1)-c1ccncc1
Show InChI InChI=1S/C21H23N5O4/c1-2-23-20(28)26-19-11-17-16(14-5-7-22-8-6-14)4-3-15(18(17)13-24-19)12-25-21(29)30-10-9-27/h3-8,11,13,27H,2,9-10,12H2,1H3,(H,25,29)(H2,23,24,26,28)
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50388092
PNG
(CHEMBL2059196)
Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cncc(c1)C(O)=O)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H15F3N6O3/c1-2-25-18(30)14-6-12-16(29-4-3-15(28-29)20(21,22)23)13(9-26-17(12)27-14)10-5-11(19(31)32)8-24-7-10/h3-9H,2H2,1H3,(H,25,30)(H,26,27)(H,31,32)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
DNA gyrase


(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 6n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


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


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA gyrase


(Staphylococcus aureus)
BDBM50173875
PNG
(CHEMBL3808756)
Show SMILES CCCn1c2[nH]nc(-c3nc(C(=O)OC)c(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C19H17N5O3S/c1-3-9-24-13(25)7-6-12-14(22-23-17(12)24)18-21-15(19(26)27-2)16(28-18)11-5-4-8-20-10-11/h4-8,10H,3,9H2,1-2H3,(H,22,23)
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n/an/a 6n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


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


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50515038
PNG
(CHEMBL4460653)
Show SMILES Cc1c(CNC2CCC(CC2)NC(N)=N)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29Cl2N5/c1-16-18(15-30-21-8-10-22(11-9-21)31-25(28)29)14-24(17-2-4-19(26)5-3-17)32(16)23-12-6-20(27)7-13-23/h2-7,12-14,21-22,30H,8-11,15H2,1H3,(H4,28,29,31)
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n/an/a 7.20n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase S84L mutant


Eur J Med Chem 178: 500-514 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.087
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50274132
PNG
(CHEMBL4127740)
Show SMILES COc1cc(O)c2C=CC(C)(C)Oc2c1C(C)=O
Show InChI InChI=1S/C14H16O4/c1-8(15)12-11(17-4)7-10(16)9-5-6-14(2,3)18-13(9)12/h5-7,16H,1-4H3
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Bharathiar University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis


Bioorg Med Chem 26: 3438-3452 (2018)


Article DOI: 10.1016/j.bmc.2018.05.016
BindingDB Entry DOI: 10.7270/Q2125W5H
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50134212
PNG
(CHEMBL3741453)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(O)=O)c2ccc1=O
Show InChI InChI=1S/C18H15N5O3S/c1-2-7-23-14(24)6-4-11-15(21-22-16(11)23)13-9-20-17(27-13)10-3-5-12(18(25)26)19-8-10/h3-6,8-9H,2,7H2,1H3,(H,21,22)(H,25,26)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Gyrase B ATPase activity by fluorescence analysis


ACS Med Chem Lett 6: 1080-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00266
BindingDB Entry DOI: 10.7270/Q2GB25VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50518949
PNG
(CHEMBL4448131)
Show SMILES Fc1ccc2ccc(=O)n3C[C@@H](NCCC[C@H]4CN(C(=O)O4)c4ccc5OCC(=O)Nc5n4)c1c23
Show InChI InChI=1S/C24H22FN5O5/c25-15-5-3-13-4-8-20(32)30-11-16(21(15)22(13)30)26-9-1-2-14-10-29(24(33)35-14)18-7-6-17-23(27-18)28-19(31)12-34-17/h3-8,14,16,26H,1-2,9-12H2,(H,27,28,31)/t14-,16+/m0/s1
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Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50135115
PNG
(CHEMBL3741066)
Show SMILES CCCOc1nccc2c(n[nH]c12)-c1cnc(s1)-c1ccc(CO)nc1
Show InChI InChI=1S/C18H17N5O2S/c1-2-7-25-17-16-13(5-6-19-17)15(22-23-16)14-9-21-18(26-14)11-3-4-12(10-24)20-8-11/h3-6,8-9,24H,2,7,10H2,1H3,(H,22,23)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Gyrase B ATPase activity by fluorescence analysis


ACS Med Chem Lett 6: 1080-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00266
BindingDB Entry DOI: 10.7270/Q2GB25VF
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50135116
PNG
(CHEMBL3740365)
Show SMILES CCCOc1nccc2c(n[nH]c12)-c1cnc(s1)-c1ccc(nc1)C(O)=O
Show InChI InChI=1S/C18H15N5O3S/c1-2-7-26-16-15-11(5-6-19-16)14(22-23-15)13-9-21-17(27-13)10-3-4-12(18(24)25)20-8-10/h3-6,8-9H,2,7H2,1H3,(H,22,23)(H,24,25)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Gyrase B ATPase activity by fluorescence analysis


ACS Med Chem Lett 6: 1080-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00266
BindingDB Entry DOI: 10.7270/Q2GB25VF
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173641
PNG
(CHEMBL3810223)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)N3CCN(C)CC3)c2ccc1=O
Show InChI InChI=1S/C22H25N7OS/c1-3-8-29-19(30)7-5-16-20(25-26-21(16)29)17-14-24-22(31-17)15-4-6-18(23-13-15)28-11-9-27(2)10-12-28/h4-7,13-14H,3,8-12H2,1-2H3,(H,25,26)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


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


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173644
PNG
(CHEMBL3810048)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(C)nc3)c2ccc1=O
Show InChI InChI=1S/C18H17N5OS/c1-3-8-23-15(24)7-6-13-16(21-22-17(13)23)14-10-20-18(25-14)12-5-4-11(2)19-9-12/h4-7,9-10H,3,8H2,1-2H3,(H,21,22)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


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


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173718
PNG
(CHEMBL3809821)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(CO)nc3)c2ccc1=O
Show InChI InChI=1S/C18H17N5O2S/c1-2-7-23-15(25)6-5-13-16(21-22-17(13)23)14-9-20-18(26-14)11-3-4-12(10-24)19-8-11/h3-6,8-9,24H,2,7,10H2,1H3,(H,21,22)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


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


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173720
PNG
(CHEMBL3809947)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(CN4CCOCC4)nc3)c2ccc1=O
Show InChI InChI=1S/C22H24N6O2S/c1-2-7-28-19(29)6-5-17-20(25-26-21(17)28)18-13-24-22(31-18)15-3-4-16(23-12-15)14-27-8-10-30-11-9-27/h3-6,12-13H,2,7-11,14H2,1H3,(H,25,26)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


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


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173823
PNG
(CHEMBL3809278)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(=O)N(C)C)c2ccc1=O
Show InChI InChI=1S/C20H20N6O2S/c1-4-9-26-16(27)8-6-13-17(23-24-18(13)26)15-11-22-19(29-15)12-5-7-14(21-10-12)20(28)25(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,23,24)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


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


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173857
PNG
(CHEMBL3808789)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(=O)NCCN(CC)CC)c2ccc1=O
Show InChI InChI=1S/C24H29N7O2S/c1-4-12-31-20(32)10-8-17-21(28-29-22(17)31)19-15-27-24(34-19)16-7-9-18(26-14-16)23(33)25-11-13-30(5-2)6-3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,25,33)(H,28,29)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


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


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50135114
PNG
(CHEMBL3742072)
Show SMILES [Na+].[Na+].CCCOc1nccc2c(n[nH]c12)-c1cnc(s1)-c1ccc(COP([O-])([O-])=O)nc1
Show InChI InChI=1S/C18H18N5O5PS.2Na/c1-2-7-27-17-16-13(5-6-19-17)15(22-23-16)14-9-21-18(30-14)11-3-4-12(20-8-11)10-28-29(24,25)26;;/h3-6,8-9H,2,7,10H2,1H3,(H,22,23)(H2,24,25,26);;/q;2*+1/p-2
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Gyrase B ATPase activity by fluorescence analysis


ACS Med Chem Lett 6: 1080-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00266
BindingDB Entry DOI: 10.7270/Q2GB25VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266349
PNG
(CHEMBL4092234)
Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCNCC(C)(C)C)c2cn1)-c1ccncc1
Show InChI InChI=1S/C26H34N6O3/c1-5-29-24(33)32-23-14-21-20(18-8-10-27-11-9-18)7-6-19(22(21)16-30-23)15-31-25(34)35-13-12-28-17-26(2,3)4/h6-11,14,16,28H,5,12-13,15,17H2,1-4H3,(H,31,34)(H2,29,30,32,33)
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266350
PNG
(CHEMBL4091332)
Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OC3CCNCC3(F)F)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C25H28F2N6O3/c1-3-29-23(34)33-22-11-19-18(16-6-9-30-15(2)10-16)5-4-17(20(19)13-31-22)12-32-24(35)36-21-7-8-28-14-25(21,26)27/h4-6,9-11,13,21,28H,3,7-8,12,14H2,1-2H3,(H,32,35)(H2,29,31,33,34)
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266344
PNG
(CHEMBL4061762)
Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCC#C)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C23H23N5O3/c1-4-10-31-23(30)27-13-17-6-7-18(16-8-9-25-15(3)11-16)19-12-21(26-14-20(17)19)28-22(29)24-5-2/h1,6-9,11-12,14H,5,10,13H2,2-3H3,(H,27,30)(H2,24,26,28,29)
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n/an/a 8n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266351
PNG
(CHEMBL4096181)
Show SMILES CCNC(=O)Nc1cc2c(ccc(Cn3ccnn3)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C21H21N7O/c1-3-22-21(29)26-20-11-18-17(15-6-7-23-14(2)10-15)5-4-16(19(18)12-24-20)13-28-9-8-25-27-28/h4-12H,3,13H2,1-2H3,(H2,22,24,26,29)
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n/an/a 8n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266352
PNG
(CHEMBL4086015)
Show SMILES CCNC(=O)Nc1cc2c(ccc(Cc3cccc(c3)C(O)=O)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C26H24N4O3/c1-3-27-26(33)30-24-14-22-21(19-9-10-28-16(2)11-19)8-7-18(23(22)15-29-24)12-17-5-4-6-20(13-17)25(31)32/h4-11,13-15H,3,12H2,1-2H3,(H,31,32)(H2,27,29,30,33)
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266355
PNG
(CHEMBL4066198)
Show SMILES CCNC(=O)Nc1cc2c(ccc(Nc3cccc(c3)C(O)=O)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C25H23N5O3/c1-3-26-25(33)30-23-13-20-19(16-9-10-27-15(2)11-16)7-8-22(21(20)14-28-23)29-18-6-4-5-17(12-18)24(31)32/h4-14,29H,3H2,1-2H3,(H,31,32)(H2,26,28,30,33)
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266342
PNG
(CHEMBL4101490)
Show SMILES CCNC(=O)Nc1cc2c(ccc(Nc3ccc(C)nc3)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C24H24N6O/c1-4-25-24(31)30-23-12-20-19(17-9-10-26-16(3)11-17)7-8-22(21(20)14-28-23)29-18-6-5-15(2)27-13-18/h5-14,29H,4H2,1-3H3,(H2,25,28,30,31)
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266356
PNG
(CHEMBL4074808)
Show SMILES CCNC(=O)Nc1cc2c(ccc(Nc3cccnc3)c2cn1)-c1ccncc1
Show InChI InChI=1S/C22H20N6O/c1-2-25-22(29)28-21-12-18-17(15-7-10-23-11-8-15)5-6-20(19(18)14-26-21)27-16-4-3-9-24-13-16/h3-14,27H,2H2,1H3,(H2,25,26,28,29)
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266366
PNG
(CHEMBL4091200)
Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)N[C@@H]3CCNC[C@H]3F)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C25H29FN6O3/c1-3-28-24(33)32-23-11-19-18(16-6-9-29-15(2)10-16)5-4-17(20(19)12-30-23)14-35-25(34)31-22-7-8-27-13-21(22)26/h4-6,9-12,21-22,27H,3,7-8,13-14H2,1-2H3,(H,31,34)(H2,28,30,32,33)/t21-,22-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266367
PNG
(CHEMBL4071960)
Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)N[C@@H]3CCNC[C@@H]3F)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C25H29FN6O3/c1-3-28-24(33)32-23-11-19-18(16-6-9-29-15(2)10-16)5-4-17(20(19)12-30-23)14-35-25(34)31-22-7-8-27-13-21(22)26/h4-6,9-12,21-22,27H,3,7-8,13-14H2,1-2H3,(H,31,34)(H2,28,30,32,33)/t21-,22+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266368
PNG
(CHEMBL4098937)
Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)NC3CCNCC3)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C25H30N6O3/c1-3-27-24(32)31-23-13-21-20(17-6-11-28-16(2)12-17)5-4-18(22(21)14-29-23)15-34-25(33)30-19-7-9-26-10-8-19/h4-6,11-14,19,26H,3,7-10,15H2,1-2H3,(H,30,33)(H2,27,29,31,32)
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266369
PNG
(CHEMBL4087439)
Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)N3CCN(C)CC3)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C25H30N6O3/c1-4-26-24(32)29-23-14-21-20(18-7-8-27-17(2)13-18)6-5-19(22(21)15-28-23)16-34-25(33)31-11-9-30(3)10-12-31/h5-8,13-15H,4,9-12,16H2,1-3H3,(H2,26,28,29,32)
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50266370
PNG
(CHEMBL4081451)
Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)N3CCNCC3)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C24H28N6O3/c1-3-26-23(31)29-22-13-20-19(17-6-7-27-16(2)12-17)5-4-18(21(20)14-28-22)15-33-24(32)30-10-8-25-9-11-30/h4-7,12-14,25H,3,8-11,15H2,1-2H3,(H2,26,28,29,31)
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair
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