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Compile Data Set for Download or QSAR

Found 107 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
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518915
PNG
(CHEMBL4583368)
Show SMILES OC(CNc1nc(=O)oc2ccc(F)cc12)CN1CCN(CC1)c1nc(F)cc2ccc(F)cc12
Show InChI InChI=1S/C24H22F3N5O3/c25-15-2-1-14-9-21(27)29-23(18(14)10-15)32-7-5-31(6-8-32)13-17(33)12-28-22-19-11-16(26)3-4-20(19)35-24(34)30-22/h1-4,9-11,17,33H,5-8,12-13H2,(H,28,30,34)
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n/an/a 40n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518940
PNG
(CHEMBL4541988)
Show SMILES OC(CNc1nc(=O)oc2ccc(F)cc12)CN1CCN(CC1)c1nccc2ccc(F)cc12
Show InChI InChI=1S/C24H23F2N5O3/c25-16-2-1-15-5-6-27-23(19(15)11-16)31-9-7-30(8-10-31)14-18(32)13-28-22-20-12-17(26)3-4-21(20)34-24(33)29-22/h1-6,11-12,18,32H,7-10,13-14H2,(H,28,29,33)
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n/an/a 50n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518948
PNG
(CHEMBL4574863)
Show SMILES COc1ccc2cc(F)nc(N3CCN(CC(O)CNc4cc(=O)oc5ccc(F)cc45)CC3)c2c1
Show InChI InChI=1S/C26H26F2N4O4/c1-35-19-4-2-16-10-24(28)30-26(20(16)12-19)32-8-6-31(7-9-32)15-18(33)14-29-22-13-25(34)36-23-5-3-17(27)11-21(22)23/h2-5,10-13,18,29,33H,6-9,14-15H2,1H3
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n/an/a<100n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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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n/an/a 200n/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
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518924
PNG
(CHEMBL4533152)
Show SMILES OC(CNc1cc(=O)oc2ccc(F)cc12)CN1CCN(CC1)c1nccc2ncccc12
Show InChI InChI=1S/C24H24FN5O3/c25-16-3-4-22-19(12-16)21(13-23(32)33-22)28-14-17(31)15-29-8-10-30(11-9-29)24-18-2-1-6-26-20(18)5-7-27-24/h1-7,12-13,17,28,31H,8-11,14-15H2
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n/an/a 300n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518911
PNG
(CHEMBL4530328)
Show SMILES O[C@H](CNc1nc(=O)oc2ccccc12)CN1CCN(CC1)c1nccc2ccc(F)cc12 |r|
Show InChI InChI=1S/C24H24FN5O3/c25-17-6-5-16-7-8-26-23(20(16)13-17)30-11-9-29(10-12-30)15-18(31)14-27-22-19-3-1-2-4-21(19)33-24(32)28-22/h1-8,13,18,31H,9-12,14-15H2,(H,27,28,32)/t18-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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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n/an/a 500n/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
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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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n/an/a 500n/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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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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n/an/a 700n/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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518926
PNG
(CHEMBL4536608)
Show SMILES O[C@@H](CNc1cc(=O)oc2ccccc12)CN1CCN(CC1)c1nccc2ccc(F)cc12 |r|
Show InChI InChI=1S/C25H25FN4O3/c26-18-6-5-17-7-8-27-25(21(17)13-18)30-11-9-29(10-12-30)16-19(31)15-28-22-14-24(32)33-23-4-2-1-3-20(22)23/h1-8,13-14,19,28,31H,9-12,15-16H2/t19-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518925
PNG
(CHEMBL4438807)
Show SMILES OC(CCN1CCN(CC1)c1nccc2ccc(F)cc12)Cc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C26H26FN3O3/c27-20-6-5-18-7-9-28-26(23(18)17-20)30-13-11-29(12-14-30)10-8-21(31)15-19-16-25(32)33-24-4-2-1-3-22(19)24/h1-7,9,16-17,21,31H,8,10-15H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518952
PNG
(CHEMBL4476525)
Show SMILES Fc1ccc2ccnc(N3CCN(CCCNc4cc(=O)oc5CCS(=O)(=O)Cc45)CC3)c2c1
Show InChI InChI=1S/C24H27FN4O4S/c25-18-3-2-17-4-7-27-24(19(17)14-18)29-11-9-28(10-12-29)8-1-6-26-21-15-23(30)33-22-5-13-34(31,32)16-20(21)22/h2-4,7,14-15,26H,1,5-6,8-13,16H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q24B30W3
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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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n/an/a 2.60E+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
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518941
PNG
(CHEMBL4465361)
Show SMILES O[C@H](CNc1cc(=O)oc2ccccc12)CN1CCN(CC1)c1nccc2ccc(F)cc12 |r|
Show InChI InChI=1S/C25H25FN4O3/c26-18-6-5-17-7-8-27-25(21(17)13-18)30-11-9-29(10-12-30)16-19(31)15-28-22-14-24(32)33-23-4-2-1-3-20(22)23/h1-8,13-14,19,28,31H,9-12,15-16H2/t19-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518932
PNG
(CHEMBL4467826)
Show SMILES Fc1ccc2oc(=O)cc(NCCCN3CCN(CC3)c3nccc4ccccc34)c2c1
Show InChI InChI=1S/C25H25FN4O2/c26-19-6-7-23-21(16-19)22(17-24(31)32-23)27-9-3-11-29-12-14-30(15-13-29)25-20-5-2-1-4-18(20)8-10-28-25/h1-2,4-8,10,16-17,27H,3,9,11-15H2
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n/an/a 3.10E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q24B30W3
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518930
PNG
(CHEMBL4453061)
Show SMILES Fc1ccc2ccnc(N3CCN(CCCNc4cc(=O)oc5CCOCc45)CC3)c2c1
Show InChI InChI=1S/C24H27FN4O3/c25-18-3-2-17-4-7-27-24(19(17)14-18)29-11-9-28(10-12-29)8-1-6-26-21-15-23(30)32-22-5-13-31-16-20(21)22/h2-4,7,14-15,26H,1,5-6,8-13,16H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518910
PNG
(CHEMBL4554663)
Show SMILES O=c1cc(NCCCN2CCN(CC2)c2nccc3ccc(cc23)C#N)c2ccccc2o1
Show InChI InChI=1S/C26H25N5O2/c27-18-19-6-7-20-8-10-29-26(22(20)16-19)31-14-12-30(13-15-31)11-3-9-28-23-17-25(32)33-24-5-2-1-4-21(23)24/h1-2,4-8,10,16-17,28H,3,9,11-15H2
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n/an/a 5.10E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518933
PNG
(CHEMBL4567626)
Show SMILES Clc1ccc2oc(=O)cc(NCCCN3CCN(CC3)c3nccc4ccccc34)c2c1
Show InChI InChI=1S/C25H25ClN4O2/c26-19-6-7-23-21(16-19)22(17-24(31)32-23)27-9-3-11-29-12-14-30(15-13-29)25-20-5-2-1-4-18(20)8-10-28-25/h1-2,4-8,10,16-17,27H,3,9,11-15H2
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n/an/a 5.50E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518951
PNG
(CHEMBL4570423)
Show SMILES Clc1ccc2ccnc(N3CCN(CCCNc4cc(=O)oc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C25H25ClN4O2/c26-19-7-6-18-8-10-28-25(21(18)16-19)30-14-12-29(13-15-30)11-3-9-27-22-17-24(31)32-23-5-2-1-4-20(22)23/h1-2,4-8,10,16-17,27H,3,9,11-15H2
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n/an/a 5.60E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q24B30W3
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518918
PNG
(CHEMBL4569403)
Show SMILES COc1ccc2ccnc(N3CCN(CCCNc4cc(=O)oc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C26H28N4O3/c1-32-20-8-7-19-9-11-28-26(22(19)17-20)30-15-13-29(14-16-30)12-4-10-27-23-18-25(31)33-24-6-3-2-5-21(23)24/h2-3,5-9,11,17-18,27H,4,10,12-16H2,1H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518944
PNG
(CHEMBL4537564)
Show SMILES Fc1cc2ccccc2c(n1)N1CCN(CCCNc2cc(=O)oc3ccccc23)CC1
Show InChI InChI=1S/C25H25FN4O2/c26-23-16-18-6-1-2-7-19(18)25(28-23)30-14-12-29(13-15-30)11-5-10-27-21-17-24(31)32-22-9-4-3-8-20(21)22/h1-4,6-9,16-17,27H,5,10-15H2
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n/an/a 7.10E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q22R3R76
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50518934
PNG
(CHEMBL4530941)
Show SMILES Cc1cc2ccccc2c(n1)N1CCN(CCCNc2cc(=O)oc3ccccc23)CC1
Show InChI InChI=1S/C26H28N4O2/c1-19-17-20-7-2-3-8-21(20)26(28-19)30-15-13-29(14-16-30)12-6-11-27-23-18-25(31)32-24-10-5-4-9-22(23)24/h2-5,7-10,17-18,27H,6,11-16H2,1H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA topoisomerase 4 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
BindingDB Entry DOI: 10.7270/Q26D5SKN
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus)
BDBM50180011
PNG
(9-ethyl-7-pyridin-4-yl-1-thia-2,4a-diaza-cyclopent...)
Show SMILES CCc1c2s[nH]c(=O)c2c(=O)n2ccc(cc12)-c1ccncc1
Show InChI InChI=1S/C17H13N3O2S/c1-2-12-13-9-11(10-3-6-18-7-4-10)5-8-20(13)17(22)14-15(12)23-19-16(14)21/h3-9H,2H2,1H3,(H,19,21)
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n/an/a 8.10E+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
BindingDB Entry DOI: 10.7270/Q24B30W3
More data for this
Ligand-Target Pair
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