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Compile Data Set for Download or QSAR

Found 106 hits of ic50 for UniProtKB: P0C1U9   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Topoisomerase IV


(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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n/an/a 125n/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
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178928
PNG
(7-(3-(aminomethyl)phenyl)-9-cyclopropyl-6-fluorois...)
Show SMILES NCc1cccc(c1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C20H16FN3O2S/c21-15-7-14-16(8-13(15)11-3-1-2-10(6-11)9-22)24(12-4-5-12)20-17(18(14)25)19(26)23-27-20/h1-3,6-8,12H,4-5,9,22H2,(H,23,26)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178917
PNG
((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...)
Show SMILES CO\N=C1/CN(CC1CN)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1
Show InChI InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+
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n/an/a 300n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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n/an/a 500n/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
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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n/an/a 500n/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
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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n/an/a 500n/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
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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n/an/a 500n/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
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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n/an/a 500n/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
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178926
PNG
(9-cyclopropyl-6-fluoro-7-(piperazin-1-yl)isothiazo...)
Show SMILES Fc1cc2c(cc1N1CCNCC1)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C17H17FN4O2S/c18-11-7-10-12(8-13(11)21-5-3-19-4-6-21)22(9-1-2-9)17-14(15(10)23)16(24)20-25-17/h7-9,19H,1-6H2,(H,20,24)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178912
PNG
(9-cyclopropyl-6-fluoro-7-(pyridin-3-yl)isothiazolo...)
Show SMILES Fc1cc2c(cc1-c1cccnc1)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C18H12FN3O2S/c19-13-6-12-14(7-11(13)9-2-1-5-20-8-9)22(10-3-4-10)18-15(16(12)23)17(24)21-25-18/h1-2,5-8,10H,3-4H2,(H,21,24)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178913
PNG
(7-(6-(aminomethyl)pyridin-3-yl)-9-cyclopropyl-6-fl...)
Show SMILES NCc1ccc(cn1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C19H15FN4O2S/c20-14-5-13-15(6-12(14)9-1-2-10(7-21)22-8-9)24(11-3-4-11)19-16(17(13)25)18(26)23-27-19/h1-2,5-6,8,11H,3-4,7,21H2,(H,23,26)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50131428
PNG
(1-Cyclopropyl-6-fluoro-8-methoxy-7-(1S,7aS)-octahy...)
Show SMILES COc1c(N2CC3CCCNC3C2)c(F)cc2C(=O)C(CN(C3CC3)c12)C(O)=O
Show InChI InChI=1S/C21H26FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,11-12,14,16,23H,2-6,8-10H2,1H3,(H,27,28)
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n/an/a 800n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50131428
PNG
(1-Cyclopropyl-6-fluoro-8-methoxy-7-(1S,7aS)-octahy...)
Show SMILES COc1c(N2CC3CCCNC3C2)c(F)cc2C(=O)C(CN(C3CC3)c12)C(O)=O
Show InChI InChI=1S/C21H26FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,11-12,14,16,23H,2-6,8-10H2,1H3,(H,27,28)
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n/an/a 800n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(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 1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(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 1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178914
PNG
(9-cyclopropyl-6-fluoro-7-(5-(pyrrolidin-2-yl)pyrid...)
Show SMILES Fc1cc2c(cc1-c1cncc(c1)C1CCCN1)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C22H19FN4O2S/c23-16-7-15-18(27(13-3-4-13)22-19(20(15)28)21(29)26-30-22)8-14(16)11-6-12(10-24-9-11)17-2-1-5-25-17/h6-10,13,17,25H,1-5H2,(H,26,29)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50117914
PNG
(1-Cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-7-(3-...)
Show SMILES COc1c(N2CCNC(C)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178922
PNG
(7-(4-(aminomethyl)phenyl)-9-cyclopropyl-6-fluorois...)
Show SMILES NCc1ccc(cc1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C20H16FN3O2S/c21-15-7-14-16(8-13(15)11-3-1-10(9-22)2-4-11)24(12-5-6-12)20-17(18(14)25)19(26)23-27-20/h1-4,7-8,12H,5-6,9,22H2,(H,23,26)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178924
PNG
(9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)isothiaz...)
Show SMILES Oc1cccc(c1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C19H13FN2O3S/c20-14-7-13-15(8-12(14)9-2-1-3-11(23)6-9)22(10-4-5-10)19-16(17(13)24)18(25)21-26-19/h1-3,6-8,10,23H,4-5H2,(H,21,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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n/an/a 2.00E+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
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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n/an/a 2.00E+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
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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n/an/a 2.00E+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
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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n/an/a 2.00E+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
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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n/an/a 2.00E+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
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178892
PNG
(9-cyclopropyl-6-fluoro-7-(pyridin-4-yl)isothiazolo...)
Show SMILES Fc1cc2c(cc1-c1ccncc1)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C18H12FN3O2S/c19-13-7-12-14(8-11(13)9-3-5-20-6-4-9)22(10-1-2-10)18-15(16(12)23)17(24)21-25-18/h3-8,10H,1-2H2,(H,21,24)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(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 2.30E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 4 decatenation in Staphylococcus aureus ATCC 29213


J Med Chem 49: 39-42 (2006)


Article DOI: 10.1021/jm051066d
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178905
PNG
(9-cyclopropyl-6-fluoro-7-(2-fluoropyridin-3-yl)iso...)
Show SMILES Fc1cc2c(cc1-c1cccnc1F)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C18H11F2N3O2S/c19-12-6-11-13(7-10(12)9-2-1-5-21-16(9)20)23(8-3-4-8)18-14(15(11)24)17(25)22-26-18/h1-2,5-8H,3-4H2,(H,22,25)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178929
PNG
(9-cyclopropyl-6-fluoro-7-(4-(piperidin-2-yl)phenyl...)
Show SMILES Fc1cc2c(cc1-c1ccc(cc1)C1CCCCN1)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C24H22FN3O2S/c25-18-11-17-20(28(15-8-9-15)24-21(22(17)29)23(30)27-31-24)12-16(18)13-4-6-14(7-5-13)19-3-1-2-10-26-19/h4-7,11-12,15,19,26H,1-3,8-10H2,(H,27,30)
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Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178925
PNG
(9-cyclopropyl-6-fluoro-7-(3-(piperidin-2-yl)phenyl...)
Show SMILES Fc1cc2c(cc1-c1cccc(c1)C1CCCCN1)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C24H22FN3O2S/c25-18-11-17-20(28(15-7-8-15)24-21(22(17)29)23(30)27-31-24)12-16(18)13-4-3-5-14(10-13)19-6-1-2-9-26-19/h3-5,10-12,15,19,26H,1-2,6-9H2,(H,27,30)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178894
PNG
(9-cyclopropyl-6-fluoro-7-(quinolin-6-yl)isothiazol...)
Show SMILES Fc1cc2c(cc1-c1ccc3ncccc3c1)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C22H14FN3O2S/c23-16-9-15-18(10-14(16)11-3-6-17-12(8-11)2-1-7-24-17)26(13-4-5-13)22-19(20(15)27)21(28)25-29-22/h1-3,6-10,13H,4-5H2,(H,25,28)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178904
PNG
(9-cyclopropyl-6-fluoro-7-(1H-indol-2-yl)isothiazol...)
Show SMILES Fc1cc2c(cc1-c1cc3ccccc3[nH]1)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C21H14FN3O2S/c22-14-8-13-17(9-12(14)16-7-10-3-1-2-4-15(10)23-16)25(11-5-6-11)21-18(19(13)26)20(27)24-28-21/h1-4,7-9,11,23H,5-6H2,(H,24,27)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178897
PNG
(9-cyclopropyl-6-fluoro-7-(2-methoxypyrimidin-5-yl)...)
Show SMILES COc1ncc(cn1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C18H13FN4O3S/c1-26-18-20-6-8(7-21-18)10-5-13-11(4-12(10)19)15(24)14-16(25)22-27-17(14)23(13)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,22,25)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178884
PNG
(9-cyclopropyl-6-fluoro-7-(pyrimidin-5-yl)isothiazo...)
Show SMILES Fc1cc2c(cc1-c1cncnc1)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C17H11FN4O2S/c18-12-3-11-13(4-10(12)8-5-19-7-20-6-8)22(9-1-2-9)17-14(15(11)23)16(24)21-25-17/h3-7,9H,1-2H2,(H,21,24)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50045000
PNG
((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 4 decatenation in Staphylococcus aureus ATCC 29213


J Med Chem 49: 39-42 (2006)


Article DOI: 10.1021/jm051066d
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178882
PNG
(9-cyclopropyl-6-fluoro-7-(2-methylpyridin-3-yl)iso...)
Show SMILES Cc1ncccc1-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C19H14FN3O2S/c1-9-11(3-2-6-21-9)12-8-15-13(7-14(12)20)17(24)16-18(25)22-26-19(16)23(15)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,22,25)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178878
PNG
(9-cyclopropyl-6-fluoro-7-(isoquinolin-6-yl)isothia...)
Show SMILES Fc1cc2c(cc1-c1ccc3cnccc3c1)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C22H14FN3O2S/c23-17-8-16-18(9-15(17)12-1-2-13-10-24-6-5-11(13)7-12)26(14-3-4-14)22-19(20(16)27)21(28)25-29-22/h1-2,5-10,14H,3-4H2,(H,25,28)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178909
PNG
(9-cyclopropyl-6-fluoro-7-(1-methyl-1H-indol-5-yl)i...)
Show SMILES Cn1ccc2cc(ccc12)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C22H16FN3O2S/c1-25-7-6-12-8-11(2-5-17(12)25)14-10-18-15(9-16(14)23)20(27)19-21(28)24-29-22(19)26(18)13-3-4-13/h2,5-10,13H,3-4H2,1H3,(H,24,28)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178907
PNG
(9-cyclopropyl-6-fluoro-7-(2-(hydroxymethyl)pyridin...)
Show SMILES OCc1cc(ccn1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C19H14FN3O3S/c20-14-6-13-15(7-12(14)9-3-4-21-10(5-9)8-24)23(11-1-2-11)19-16(17(13)25)18(26)22-27-19/h3-7,11,24H,1-2,8H2,(H,22,26)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178910
PNG
(9-cyclopropyl-6-fluoro-7-(5-(piperidin-2-yl)pyridi...)
Show SMILES Fc1cc2c(cc1-c1cncc(c1)C1CCCCN1)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C23H21FN4O2S/c24-17-8-16-19(28(14-4-5-14)23-20(21(16)29)22(30)27-31-23)9-15(17)12-7-13(11-25-10-12)18-3-1-2-6-26-18/h7-11,14,18,26H,1-6H2,(H,27,30)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178915
PNG
(9-cyclopropyl-6-fluoro-7-phenylisothiazolo[5,4-b]q...)
Show SMILES Fc1cc2c(cc1-c1ccccc1)n(C1CC1)c1s[nH]c(=O)c1c2=O
Show InChI InChI=1S/C19H13FN2O2S/c20-14-8-13-15(9-12(14)10-4-2-1-3-5-10)22(11-6-7-11)19-16(17(13)23)18(24)21-25-19/h1-5,8-9,11H,6-7H2,(H,21,24)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50180009
PNG
(7-(2,6-dimethylpyridin-4-yl)-9-ethyl-1-thia-2,4a-d...)
Show SMILES CCc1c2s[nH]c(=O)c2c(=O)n2ccc(cc12)-c1cc(C)nc(C)c1
Show InChI InChI=1S/C19H17N3O2S/c1-4-14-15-9-12(13-7-10(2)20-11(3)8-13)5-6-22(15)19(24)16-17(14)25-21-18(16)23/h5-9H,4H2,1-3H3,(H,21,23)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 4 decatenation in Staphylococcus aureus ATCC 29213


J Med Chem 49: 39-42 (2006)


Article DOI: 10.1021/jm051066d
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178920
PNG
(9-cyclopropyl-6-fluoro-7-(3-fluorophenyl)isothiazo...)
Show SMILES Fc1cccc(c1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C19H12F2N2O2S/c20-10-3-1-2-9(6-10)12-8-15-13(7-14(12)21)17(24)16-18(25)22-26-19(16)23(15)11-4-5-11/h1-3,6-8,11H,4-5H2,(H,22,25)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4


Bioorg Med Chem Lett 16: 1272-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.065
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178888
PNG
(9-cyclopropyl-7-(2,6-dimethylpyridin-3-yl)-6-fluor...)
Show SMILES Cc1ccc(c(C)n1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C20H16FN3O2S/c1-9-3-6-12(10(2)22-9)13-8-16-14(7-15(13)21)18(25)17-19(26)23-27-20(17)24(16)11-4-5-11/h3,6-8,11H,4-5H2,1-2H3,(H,23,26)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4


Bioorg Med Chem Lett 16: 1277-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.064
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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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
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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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
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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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
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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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
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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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
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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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
More data for this
Ligand-Target Pair
Topoisomerase IV


(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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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
More data for this
Ligand-Target Pair
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