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PubMed code 23968485

Compile data set for download or QSAR
Found 67 hits of Enzyme Inhibition Constant Data   
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)		BDBM50440326
PNG
(CHEMBL2424886)
Show SMILES COc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C24H28N4O6/c1-31-21-5-3-17-22(28-21)16(6-7-25-17)23(29)24(30)18-4-2-14(13-34-18)26-11-15-10-19-20(12-27-15)33-9-8-32-19/h3,5-7,10,12,14,18,23-24,26,29-30H,2,4,8-9,11,13H2,1H3/t14-,18+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440304
PNG
(CHEMBL2424874)
Show SMILES COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C24H27FN4O5S/c1-32-20-11-28-16-4-3-15(25)21(22(16)29-20)24(31)23(30)17-5-2-13(12-34-17)26-9-14-8-19-18(10-27-14)33-6-7-35-19/h3-4,8,10-11,13,17,23-24,26,30-31H,2,5-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440324
PNG
(CHEMBL2424892)
Show SMILES COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H26FN5O5S/c1-34-19-9-27-15-5-4-14(25)20(21(15)30-19)23(33)22(32)16-6-2-13(10-35-16)26-8-12-3-7-17-24(28-12)29-18(31)11-36-17/h3-5,7,9,13,16,22-23,26,32-33H,2,6,8,10-11H2,1H3,(H,28,29,31)/t13-,16+,22-,23-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50395398
PNG
(CHEMBL2165064)
Show SMILES F[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1 |r|
Show InChI InChI=1S/C25H26FN5O3/c26-20-16-30(7-8-31-22-11-17(13-27)1-2-18(22)3-4-25(31)32)6-5-21(20)29-14-19-12-23-24(15-28-19)34-10-9-33-23/h1-4,11-12,15,20-21,29H,5-10,14,16H2/t20-,21+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440321
PNG
(CHEMBL2424893)
Show SMILES COc1ccc2nccc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r,wU:13.12,wD:16.19,(6.06,-13.06,;7.4,-13.83,;7.4,-15.37,;6.08,-16.14,;6.09,-17.67,;7.41,-18.43,;7.41,-19.97,;8.74,-20.74,;10.08,-19.97,;10.07,-18.42,;11.4,-17.64,;12.74,-18.41,;12.75,-19.95,;14.07,-17.63,;14.06,-16.09,;15.39,-15.32,;16.73,-16.09,;16.73,-17.63,;15.4,-18.4,;18.06,-15.32,;19.4,-16.08,;20.73,-15.31,;20.72,-13.78,;22.05,-13.01,;23.39,-13.77,;24.72,-13,;26.05,-13.78,;26.05,-15.32,;27.38,-16.09,;24.72,-16.08,;23.39,-15.32,;22.06,-16.09,;8.74,-17.66,;8.73,-16.13,)|
Show InChI InChI=1S/C24H26N6O3S/c1-33-21-9-7-17-22(30-21)18(10-11-25-17)28-24(32)14-2-4-15(5-3-14)26-12-16-6-8-19-23(27-16)29-20(31)13-34-19/h6-11,14-15,26H,2-5,12-13H2,1H3,(H,25,28,32)(H,27,29,31)/t14-,15-
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440303
PNG
(CHEMBL2424876)
Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C24H27FN4O6/c1-32-20-5-3-16-22(29-20)21(15(25)10-28-16)24(31)23(30)17-4-2-13(12-35-17)26-9-14-8-18-19(11-27-14)34-7-6-33-18/h3,5,8,10-11,13,17,23-24,26,30-31H,2,4,6-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440323
PNG
(CHEMBL2424833)
Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H26FN5O5S/c1-34-19-7-4-15-21(30-19)20(14(25)9-27-15)23(33)22(32)16-5-2-13(10-35-16)26-8-12-3-6-17-24(28-12)29-18(31)11-36-17/h3-4,6-7,9,13,16,22-23,26,32-33H,2,5,8,10-11H2,1H3,(H,28,29,31)/t13-,16+,22-,23-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440325
PNG
(CHEMBL2424890)
Show SMILES COc1ccc2cccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C25H28N4O5S/c1-33-21-10-5-14-3-2-4-17(22(14)29-21)23(31)24(32)18-8-6-16(12-34-18)26-11-15-7-9-19-25(27-15)28-20(30)13-35-19/h2-5,7,9-10,16,18,23-24,26,31-32H,6,8,11-13H2,1H3,(H,27,28,30)/t16-,18+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440302
PNG
(CHEMBL2424877)
Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C24H27FN4O5S/c1-32-20-5-3-16-22(29-20)21(15(25)10-28-16)24(31)23(30)17-4-2-13(12-34-17)26-9-14-8-19-18(11-27-14)33-6-7-35-19/h3,5,8,10-11,13,17,23-24,26,30-31H,2,4,6-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440322
PNG
(CHEMBL2424836)
Show SMILES COc1cnc2cccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H27N5O5S/c1-33-20-10-26-16-4-2-3-15(21(16)29-20)22(31)23(32)17-7-5-14(11-34-17)25-9-13-6-8-18-24(27-13)28-19(30)12-35-18/h2-4,6,8,10,14,17,22-23,25,31-32H,5,7,9,11-12H2,1H3,(H,27,28,30)/t14-,17+,22-,23-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440309
PNG
(CHEMBL2424889)
Show SMILES COc1ccc2nccc([C@H](O)[C@@H](O)[C@H]3CC[C@@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H27N5O5S/c1-33-20-7-4-16-21(29-20)15(8-9-25-16)22(31)23(32)17-5-2-14(11-34-17)26-10-13-3-6-18-24(27-13)28-19(30)12-35-18/h3-4,6-9,14,17,22-23,26,31-32H,2,5,10-12H2,1H3,(H,27,28,30)/t14-,17+,22-,23-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440327
PNG
(CHEMBL2424883)
Show SMILES COc1ccc2nccc(CC[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H27N5O3S/c1-31-22-9-7-19-23(29-22)15(10-11-25-19)2-5-18-6-3-17(13-32-18)26-12-16-4-8-20-24(27-16)28-21(30)14-33-20/h4,7-11,17-18,26H,2-3,5-6,12-14H2,1H3,(H,27,28,30)/t17-,18-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440319
PNG
(CHEMBL2424895)
Show SMILES COc1ccc2nccc(OC[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C23H25N5O4S/c1-30-21-7-5-17-22(28-21)18(8-9-24-17)32-12-16-4-2-15(11-31-16)25-10-14-3-6-19-23(26-14)27-20(29)13-33-19/h3,5-9,15-16,25H,2,4,10-13H2,1H3,(H,26,27,29)/t15-,16+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440318
PNG
(CHEMBL2424897)
Show SMILES COc1ccc2nccc(NC(=O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C23H24N6O4S/c1-32-20-7-4-15-21(29-20)16(8-9-24-15)27-23(31)17-5-2-14(11-33-17)25-10-13-3-6-18-22(26-13)28-19(30)12-34-18/h3-4,6-9,14,17,25H,2,5,10-12H2,1H3,(H,24,27,31)(H,26,28,30)/t14-,17+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440307
PNG
(CHEMBL2424834)
Show SMILES COc1cc(F)c2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r|
Show InChI InChI=1S/C25H27FN4O5S/c1-34-15-8-17-16(6-7-27-22(17)18(26)9-15)23(32)24(33)19-4-2-14(11-35-19)28-10-13-3-5-20-25(29-13)30-21(31)12-36-20/h3,5-9,14,19,23-24,28,32-33H,2,4,10-12H2,1H3,(H,29,30,31)/t14-,19+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440311
PNG
(CHEMBL2424875)
Show SMILES COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4nn3)c2n1 |r|
Show InChI InChI=1S/C23H26FN5O5S/c1-32-18-10-26-15-4-3-14(24)19(20(15)27-18)22(31)21(30)16-5-2-12(11-34-16)25-9-13-8-17-23(29-28-13)33-6-7-35-17/h3-4,8,10,12,16,21-22,25,30-31H,2,5-7,9,11H2,1H3/t12-,16+,21-,22-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440320
PNG
(CHEMBL2424894)
Show SMILES Fc1ccc2ccc(=O)n3CC(CN4CCC(CC4)NCc4cc5OCCOc5cn4)c1c23
Show InChI InChI=1S/C25H27FN4O3/c26-20-3-1-16-2-4-23(31)30-15-17(24(20)25(16)30)14-29-7-5-18(6-8-29)27-12-19-11-21-22(13-28-19)33-10-9-32-21/h1-4,11,13,17-18,27H,5-10,12,14-15H2
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440312
PNG
(CHEMBL2424891)
Show SMILES COc1cnc2cccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r|
Show InChI InChI=1S/C25H28N4O5S/c1-33-16-9-18-17(3-2-4-19(18)27-11-16)23(31)24(32)20-7-5-15(12-34-20)26-10-14-6-8-21-25(28-14)29-22(30)13-35-21/h2-4,6,8-9,11,15,20,23-24,26,31-32H,5,7,10,12-13H2,1H3,(H,28,29,30)/t15-,20+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440315
PNG
(CHEMBL2424881)
Show SMILES COc1ccc2nccc(\C=C\[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H25N5O3S/c1-31-22-9-7-19-23(29-22)15(10-11-25-19)2-5-18-6-3-17(13-32-18)26-12-16-4-8-20-24(27-16)28-21(30)14-33-20/h2,4-5,7-11,17-18,26H,3,6,12-14H2,1H3,(H,27,28,30)/b5-2+/t17-,18-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440301
PNG
(CHEMBL2424878)
Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4nn3)c2n1 |r|
Show InChI InChI=1S/C23H26FN5O5S/c1-32-18-5-3-15-20(27-18)19(14(24)10-26-15)22(31)21(30)16-4-2-12(11-34-16)25-9-13-8-17-23(29-28-13)33-6-7-35-17/h3,5,8,10,12,16,21-22,25,30-31H,2,4,6-7,9,11H2,1H3/t12-,16+,21-,22-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50393503
PNG
(CHEMBL2158050)
Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r|
Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440321
PNG
(CHEMBL2424893)
Show SMILES COc1ccc2nccc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r,wU:13.12,wD:16.19,(6.06,-13.06,;7.4,-13.83,;7.4,-15.37,;6.08,-16.14,;6.09,-17.67,;7.41,-18.43,;7.41,-19.97,;8.74,-20.74,;10.08,-19.97,;10.07,-18.42,;11.4,-17.64,;12.74,-18.41,;12.75,-19.95,;14.07,-17.63,;14.06,-16.09,;15.39,-15.32,;16.73,-16.09,;16.73,-17.63,;15.4,-18.4,;18.06,-15.32,;19.4,-16.08,;20.73,-15.31,;20.72,-13.78,;22.05,-13.01,;23.39,-13.77,;24.72,-13,;26.05,-13.78,;26.05,-15.32,;27.38,-16.09,;24.72,-16.08,;23.39,-15.32,;22.06,-16.09,;8.74,-17.66,;8.73,-16.13,)|
Show InChI InChI=1S/C24H26N6O3S/c1-33-21-9-7-17-22(30-21)18(10-11-25-17)28-24(32)14-2-4-15(5-3-14)26-12-16-6-8-19-23(27-16)29-20(31)13-34-19/h6-11,14-15,26H,2-5,12-13H2,1H3,(H,25,28,32)(H,27,29,31)/t14-,15-
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440316
PNG
(CHEMBL2424880)
Show SMILES COc1ccc2nccc(C(O)C[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C24H28N4O5/c1-30-23-5-4-19-24(28-23)18(6-7-25-19)20(29)11-17-3-2-15(14-33-17)26-12-16-10-21-22(13-27-16)32-9-8-31-21/h4-7,10,13,15,17,20,26,29H,2-3,8-9,11-12,14H2,1H3/t15-,17+,20?/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440310
PNG
(CHEMBL2424879)
Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4nn3)c2n1 |r|
Show InChI InChI=1S/C23H26FN5O6/c1-32-18-5-3-15-20(27-18)19(14(24)10-26-15)22(31)21(30)16-4-2-12(11-35-16)25-9-13-8-17-23(29-28-13)34-7-6-33-17/h3,5,8,10,12,16,21-22,25,30-31H,2,4,6-7,9,11H2,1H3/t12-,16+,21-,22-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440313
PNG
(CHEMBL2424887)
Show SMILES COc1ccc2nccc([C@@H](O)[C@H](O)[C@H]3CC[C@@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H27N5O5S/c1-33-20-7-4-16-21(29-20)15(8-9-25-16)22(31)23(32)17-5-2-14(11-34-17)26-10-13-3-6-18-24(27-13)28-19(30)12-35-18/h3-4,6-9,14,17,22-23,26,31-32H,2,5,10-12H2,1H3,(H,27,28,30)/t14-,17+,22+,23+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440308
PNG
(CHEMBL2424660)
Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r|
Show InChI InChI=1S/C25H27FN4O5S/c1-34-15-4-5-18-16(8-15)22(17(26)10-28-18)24(33)23(32)19-6-2-14(11-35-19)27-9-13-3-7-20-25(29-13)30-21(31)12-36-20/h3-5,7-8,10,14,19,23-24,27,32-33H,2,6,9,11-12H2,1H3,(H,29,30,31)/t14-,19+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440314
PNG
(CHEMBL2424882)
Show SMILES COc1ccc2nccc(\C=C\[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C24H26N4O4/c1-29-23-7-6-20-24(28-23)16(8-9-25-20)2-4-19-5-3-17(15-32-19)26-13-18-12-21-22(14-27-18)31-11-10-30-21/h2,4,6-9,12,14,17,19,26H,3,5,10-11,13,15H2,1H3/b4-2+/t17-,19-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440305
PNG
(CHEMBL2424873)
Show SMILES COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C24H27FN4O6/c1-32-20-11-28-16-4-3-15(25)21(22(16)29-20)24(31)23(30)17-5-2-13(12-35-17)26-9-14-8-18-19(10-27-14)34-7-6-33-18/h3-4,8,10-11,13,17,23-24,26,30-31H,2,5-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440317
PNG
(CHEMBL2424898)
Show SMILES COc1ccc2nccc(NC(=O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C23H25N5O5/c1-30-21-5-3-16-22(28-21)17(6-7-24-16)27-23(29)18-4-2-14(13-33-18)25-11-15-10-19-20(12-26-15)32-9-8-31-19/h3,5-7,10,12,14,18,25H,2,4,8-9,11,13H2,1H3,(H,24,27,29)/t14-,18+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440306
PNG
(CHEMBL2424835)
Show SMILES COc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r|
Show InChI InChI=1S/C25H28N4O5S/c1-33-16-4-5-19-18(10-16)17(8-9-26-19)23(31)24(32)20-6-2-15(12-34-20)27-11-14-3-7-21-25(28-14)29-22(30)13-35-21/h3-5,7-10,15,20,23-24,27,31-32H,2,6,11-13H2,1H3,(H,28,29,30)/t15-,20+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440331
PNG
(CHEMBL2424888)
Show SMILES COc1ccc2nccc([C@H](O)[C@@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H27N5O5S/c1-33-20-7-4-16-21(29-20)15(8-9-25-16)22(31)23(32)17-5-2-14(11-34-17)26-10-13-3-6-18-24(27-13)28-19(30)12-35-18/h3-4,6-9,14,17,22-23,26,31-32H,2,5,10-12H2,1H3,(H,27,28,30)/t14-,17+,22+,23+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440323
PNG
(CHEMBL2424833)
Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H26FN5O5S/c1-34-19-7-4-15-21(30-19)20(14(25)9-27-15)23(33)22(32)16-5-2-13(10-35-16)26-8-12-3-6-17-24(28-12)29-18(31)11-36-17/h3-4,6-7,9,13,16,22-23,26,32-33H,2,5,8,10-11H2,1H3,(H,28,29,31)/t13-,16+,22-,23-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440312
PNG
(CHEMBL2424891)
Show SMILES COc1cnc2cccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r|
Show InChI InChI=1S/C25H28N4O5S/c1-33-16-9-18-17(3-2-4-19(18)27-11-16)23(31)24(32)20-7-5-15(12-34-20)26-10-14-6-8-21-25(28-14)29-22(30)13-35-21/h2-4,6,8-9,11,15,20,23-24,26,31-32H,5,7,10,12-13H2,1H3,(H,28,29,30)/t15-,20+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440325
PNG
(CHEMBL2424890)
Show SMILES COc1ccc2cccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C25H28N4O5S/c1-33-21-10-5-14-3-2-4-17(22(14)29-21)23(31)24(32)18-8-6-16(12-34-18)26-11-15-7-9-19-25(27-15)28-20(30)13-35-19/h2-5,7,9-10,16,18,23-24,26,31-32H,6,8,11-13H2,1H3,(H,27,28,30)/t16-,18+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440332
PNG
(CHEMBL2424885)
Show SMILES COc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H27N5O5S/c1-33-20-7-4-16-21(29-20)15(8-9-25-16)22(31)23(32)17-5-2-14(11-34-17)26-10-13-3-6-18-24(27-13)28-19(30)12-35-18/h3-4,6-9,14,17,22-23,26,31-32H,2,5,10-12H2,1H3,(H,27,28,30)/t14-,17+,22-,23-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50440330
PNG
(CHEMBL2424896)
Show SMILES COc1ccc2nccc(OC[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C23H26N4O5/c1-28-22-5-4-18-23(27-22)19(6-7-24-18)32-14-17-3-2-15(13-31-17)25-11-16-10-20-21(12-26-16)30-9-8-29-20/h4-7,10,12,15,17,25H,2-3,8-9,11,13-14H2,1H3/t15-,17+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440327
PNG
(CHEMBL2424883)
Show SMILES COc1ccc2nccc(CC[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H27N5O3S/c1-31-22-9-7-19-23(29-22)15(10-11-25-19)2-5-18-6-3-17(13-32-18)26-12-16-4-8-20-24(27-16)28-21(30)14-33-20/h4,7-11,17-18,26H,2-3,5-6,12-14H2,1H3,(H,27,28,30)/t17-,18-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440322
PNG
(CHEMBL2424836)
Show SMILES COc1cnc2cccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H27N5O5S/c1-33-20-10-26-16-4-2-3-15(21(16)29-20)22(31)23(32)17-7-5-14(11-34-17)25-9-13-6-8-18-24(27-13)28-19(30)12-35-18/h2-4,6,8,10,14,17,22-23,25,31-32H,5,7,9,11-12H2,1H3,(H,27,28,30)/t14-,17+,22-,23-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440315
PNG
(CHEMBL2424881)
Show SMILES COc1ccc2nccc(\C=C\[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H25N5O3S/c1-31-22-9-7-19-23(29-22)15(10-11-25-19)2-5-18-6-3-17(13-32-18)26-12-16-4-8-20-24(27-16)28-21(30)14-33-20/h2,4-5,7-11,17-18,26H,3,6,12-14H2,1H3,(H,27,28,30)/b5-2+/t17-,18-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440324
PNG
(CHEMBL2424892)
Show SMILES COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H26FN5O5S/c1-34-19-9-27-15-5-4-14(25)20(21(15)30-19)23(33)22(32)16-6-2-13(10-35-16)26-8-12-3-7-17-24(28-12)29-18(31)11-36-17/h3-5,7,9,13,16,22-23,26,32-33H,2,6,8,10-11H2,1H3,(H,28,29,31)/t13-,16+,22-,23-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440320
PNG
(CHEMBL2424894)
Show SMILES Fc1ccc2ccc(=O)n3CC(CN4CCC(CC4)NCc4cc5OCCOc5cn4)c1c23
Show InChI InChI=1S/C25H27FN4O3/c26-20-3-1-16-2-4-23(31)30-15-17(24(20)25(16)30)14-29-7-5-18(6-8-29)27-12-19-11-21-22(13-28-19)33-10-9-32-21/h1-4,11,13,17-18,27H,5-10,12,14-15H2
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440318
PNG
(CHEMBL2424897)
Show SMILES COc1ccc2nccc(NC(=O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C23H24N6O4S/c1-32-20-7-4-15-21(29-20)16(8-9-24-15)27-23(31)17-5-2-14(11-33-17)25-10-13-3-6-18-22(26-13)28-19(30)12-34-18/h3-4,6-9,14,17,25H,2,5,10-12H2,1H3,(H,24,27,31)(H,26,28,30)/t14-,17+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440309
PNG
(CHEMBL2424889)
Show SMILES COc1ccc2nccc([C@H](O)[C@@H](O)[C@H]3CC[C@@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H27N5O5S/c1-33-20-7-4-16-21(29-20)15(8-9-25-16)22(31)23(32)17-5-2-14(11-34-17)26-10-13-3-6-18-24(27-13)28-19(30)12-35-18/h3-4,6-9,14,17,22-23,26,31-32H,2,5,10-12H2,1H3,(H,27,28,30)/t14-,17+,22-,23-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440303
PNG
(CHEMBL2424876)
Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C24H27FN4O6/c1-32-20-5-3-16-22(29-20)21(15(25)10-28-16)24(31)23(30)17-4-2-13(12-35-17)26-9-14-8-18-19(11-27-14)34-7-6-33-18/h3,5,8,10-11,13,17,23-24,26,30-31H,2,4,6-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440313
PNG
(CHEMBL2424887)
Show SMILES COc1ccc2nccc([C@@H](O)[C@H](O)[C@H]3CC[C@@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H27N5O5S/c1-33-20-7-4-16-21(29-20)15(8-9-25-16)22(31)23(32)17-5-2-14(11-34-17)26-10-13-3-6-18-24(27-13)28-19(30)12-35-18/h3-4,6-9,14,17,22-23,26,31-32H,2,5,10-12H2,1H3,(H,27,28,30)/t14-,17+,22+,23+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440330
PNG
(CHEMBL2424896)
Show SMILES COc1ccc2nccc(OC[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C23H26N4O5/c1-28-22-5-4-18-23(27-22)19(6-7-24-18)32-14-17-3-2-15(13-31-17)25-11-16-10-20-21(12-26-16)30-9-8-29-20/h4-7,10,12,15,17,25H,2-3,8-9,11,13-14H2,1H3/t15-,17+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440316
PNG
(CHEMBL2424880)
Show SMILES COc1ccc2nccc(C(O)C[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C24H28N4O5/c1-30-23-5-4-19-24(28-23)18(6-7-25-19)20(29)11-17-3-2-15(14-33-17)26-12-16-10-21-22(13-27-16)32-9-8-31-21/h4-7,10,13,15,17,20,26,29H,2-3,8-9,11-12,14H2,1H3/t15-,17+,20?/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440308
PNG
(CHEMBL2424660)
Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r|
Show InChI InChI=1S/C25H27FN4O5S/c1-34-15-4-5-18-16(8-15)22(17(26)10-28-18)24(33)23(32)19-6-2-14(11-35-19)27-9-13-3-7-20-25(29-13)30-21(31)12-36-20/h3-5,7-8,10,14,19,23-24,27,32-33H,2,6,9,11-12H2,1H3,(H,29,30,31)/t14-,19+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440306
PNG
(CHEMBL2424835)
Show SMILES COc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r|
Show InChI InChI=1S/C25H28N4O5S/c1-33-16-4-5-19-18(10-16)17(8-9-26-19)23(31)24(32)20-6-2-15(12-34-20)27-11-14-3-7-21-25(28-14)29-22(30)13-35-21/h3-5,7-10,15,20,23-24,27,31-32H,2,6,11-13H2,1H3,(H,28,29,30)/t15-,20+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440302
PNG
(CHEMBL2424877)
Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C24H27FN4O5S/c1-32-20-5-3-16-22(29-20)21(15(25)10-28-16)24(31)23(30)17-4-2-13(12-34-17)26-9-14-8-19-18(11-27-14)33-6-7-35-19/h3,5,8,10-11,13,17,23-24,26,30-31H,2,4,6-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440301
PNG
(CHEMBL2424878)
Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4nn3)c2n1 |r|
Show InChI InChI=1S/C23H26FN5O5S/c1-32-18-5-3-15-20(27-18)19(14(24)10-26-15)22(31)21(30)16-4-2-12(11-34-16)25-9-13-8-17-23(29-28-13)33-6-7-35-17/h3,5,8,10,12,16,21-22,25,30-31H,2,4,6-7,9,11H2,1H3/t12-,16+,21-,22-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440331
PNG
(CHEMBL2424888)
Show SMILES COc1ccc2nccc([C@H](O)[C@@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H27N5O5S/c1-33-20-7-4-16-21(29-20)15(8-9-25-16)22(31)23(32)17-5-2-14(11-34-17)26-10-13-3-6-18-24(27-13)28-19(30)12-35-18/h3-4,6-9,14,17,22-23,26,31-32H,2,5,10-12H2,1H3,(H,27,28,30)/t14-,17+,22+,23+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440310
PNG
(CHEMBL2424879)
Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4nn3)c2n1 |r|
Show InChI InChI=1S/C23H26FN5O6/c1-32-18-5-3-15-20(27-18)19(14(24)10-26-15)22(31)21(30)16-4-2-12(11-35-16)25-9-13-8-17-23(29-28-13)34-7-6-33-17/h3,5,8,10,12,16,21-22,25,30-31H,2,4,6-7,9,11H2,1H3/t12-,16+,21-,22-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440328
PNG
(CHEMBL2424884)
Show SMILES COc1ccc2nccc(CC[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C24H28N4O4/c1-29-23-7-6-20-24(28-23)16(8-9-25-20)2-4-19-5-3-17(15-32-19)26-13-18-12-21-22(14-27-18)31-11-10-30-21/h6-9,12,14,17,19,26H,2-5,10-11,13,15H2,1H3/t17-,19-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440307
PNG
(CHEMBL2424834)
Show SMILES COc1cc(F)c2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r|
Show InChI InChI=1S/C25H27FN4O5S/c1-34-15-8-17-16(6-7-27-22(17)18(26)9-15)23(32)24(33)19-4-2-14(11-35-19)28-10-13-3-5-20-25(29-13)30-21(31)12-36-20/h3,5-9,14,19,23-24,28,32-33H,2,4,10-12H2,1H3,(H,29,30,31)/t14-,19+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440326
PNG
(CHEMBL2424886)
Show SMILES COc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C24H28N4O6/c1-31-21-5-3-17-22(28-21)16(6-7-25-17)23(29)24(30)18-4-2-14(13-34-18)26-11-15-10-19-20(12-27-15)33-9-8-32-19/h3,5-7,10,12,14,18,23-24,26,29-30H,2,4,8-9,11,13H2,1H3/t14-,18+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440304
PNG
(CHEMBL2424874)
Show SMILES COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C24H27FN4O5S/c1-32-20-11-28-16-4-3-15(25)21(22(16)29-20)24(31)23(30)17-5-2-13(12-34-17)26-9-14-8-19-18(10-27-14)33-6-7-35-19/h3-4,8,10-11,13,17,23-24,26,30-31H,2,5-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440317
PNG
(CHEMBL2424898)
Show SMILES COc1ccc2nccc(NC(=O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C23H25N5O5/c1-30-21-5-3-16-22(28-21)17(6-7-24-16)27-23(29)18-4-2-14(13-33-18)25-11-15-10-19-20(12-26-15)32-9-8-31-19/h3,5-7,10,12,14,18,25H,2,4,8-9,11,13H2,1H3,(H,24,27,29)/t14-,18+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440329
PNG
(CHEMBL2424899)
Show SMILES COc1ccc2nccc(C(O)C[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H27N5O4S/c1-32-22-7-5-18-23(29-22)17(8-9-25-18)19(30)10-16-4-2-15(12-33-16)26-11-14-3-6-20-24(27-14)28-21(31)13-34-20/h3,5-9,15-16,19,26,30H,2,4,10-13H2,1H3,(H,27,28,31)/t15-,16+,19?/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440311
PNG
(CHEMBL2424875)
Show SMILES COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4nn3)c2n1 |r|
Show InChI InChI=1S/C23H26FN5O5S/c1-32-18-10-26-15-4-3-14(24)19(20(15)27-18)22(31)21(30)16-5-2-12(11-34-16)25-9-13-8-17-23(29-28-13)33-6-7-35-17/h3-4,8,10,12,16,21-22,25,30-31H,2,5-7,9,11H2,1H3/t12-,16+,21-,22-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440319
PNG
(CHEMBL2424895)
Show SMILES COc1ccc2nccc(OC[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C23H25N5O4S/c1-30-21-7-5-17-22(28-21)18(8-9-24-17)32-12-16-4-2-15(11-31-16)25-10-14-3-6-19-23(26-14)27-20(29)13-33-19/h3,5-9,15-16,25H,2,4,10-13H2,1H3,(H,26,27,29)/t15-,16+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440305
PNG
(CHEMBL2424873)
Show SMILES COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C24H27FN4O6/c1-32-20-11-28-16-4-3-15(25)21(22(16)29-20)24(31)23(30)17-5-2-13(12-35-17)26-9-14-8-18-19(10-27-14)34-7-6-33-18/h3-4,8,10-11,13,17,23-24,26,30-31H,2,5-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50395398
PNG
(CHEMBL2165064)
Show SMILES F[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1 |r|
Show InChI InChI=1S/C25H26FN5O3/c26-20-16-30(7-8-31-22-11-17(13-27)1-2-18(22)3-4-25(31)32)6-5-21(20)29-14-19-12-23-24(15-28-19)34-10-9-33-23/h1-4,11-12,15,20-21,29H,5-10,14,16H2/t20-,21+/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440314
PNG
(CHEMBL2424882)
Show SMILES COc1ccc2nccc(\C=C\[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C24H26N4O4/c1-29-23-7-6-20-24(28-23)16(8-9-25-20)2-4-19-5-3-17(15-32-19)26-13-18-12-21-22(14-27-18)31-11-10-30-21/h2,4,6-9,12,14,17,19,26H,3,5,10-11,13,15H2,1H3/b4-2+/t17-,19-/m1/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50393503
PNG
(CHEMBL2158050)
Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r|
Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1
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n/an/a 1.28E+5n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%