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Compile Data Set for Download or QSAR

Found 77 hits of ic50 for UniProtKB: P20831   
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 gyrase 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 20n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase 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 20n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase 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 gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50211505
PNG
(CHEMBL3898703)
Show SMILES Oc1c(Cl)cc2nc(cc(-c3ccccc3)c2c1Cl)-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C27H17Cl2NO2/c28-22-16-24-25(26(29)27(22)31)21(17-8-3-1-4-9-17)15-23(30-24)18-10-7-13-20(14-18)32-19-11-5-2-6-12-19/h1-16,31H
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n/an/a 466n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase A expressed in Escherichia coli BL21(DE3) using relaxed pBR322 DNA as substrate incubated for 1 hr by ...

Bioorg Med Chem 25: 1448-1455 (2017)


Article DOI: 10.1016/j.bmc.2017.01.007
BindingDB Entry DOI: 10.7270/Q2RJ4MNF
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Staphylococcus aureus)		BDBM50211477
PNG
(CHEMBL3935890)
Show SMILES Brc1ccc2nc(cc(-c3ccccc3)c2c1)-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C27H18BrNO/c28-21-14-15-26-25(17-21)24(19-8-3-1-4-9-19)18-27(29-26)20-10-7-13-23(16-20)30-22-11-5-2-6-12-22/h1-18H
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n/an/a 473n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase A expressed in Escherichia coli BL21(DE3) using relaxed pBR322 DNA as substrate incubated for 1 hr by ...

Bioorg Med Chem 25: 1448-1455 (2017)


Article DOI: 10.1016/j.bmc.2017.01.007
BindingDB Entry DOI: 10.7270/Q2RJ4MNF
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Staphylococcus aureus)		BDBM50211474
PNG
(CHEMBL3889861)
Show SMILES Clc1ccc2nc(cc(-c3ccccc3)c2c1)-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C27H18ClNO/c28-21-14-15-26-25(17-21)24(19-8-3-1-4-9-19)18-27(29-26)20-10-7-13-23(16-20)30-22-11-5-2-6-12-22/h1-18H
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n/an/a 524n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase A expressed in Escherichia coli BL21(DE3) using relaxed pBR322 DNA as substrate incubated for 1 hr by ...

Bioorg Med Chem 25: 1448-1455 (2017)


Article DOI: 10.1016/j.bmc.2017.01.007
BindingDB Entry DOI: 10.7270/Q2RJ4MNF
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Staphylococcus aureus)		BDBM50211475
PNG
(CHEMBL3889783)
Show SMILES COc1ccc2nc(cc(-c3ccccc3)c2c1)-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C28H21NO2/c1-30-23-15-16-27-26(18-23)25(20-9-4-2-5-10-20)19-28(29-27)21-11-8-14-24(17-21)31-22-12-6-3-7-13-22/h2-19H,1H3
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n/an/a 530n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase A expressed in Escherichia coli BL21(DE3) using relaxed pBR322 DNA as substrate incubated for 1 hr by ...

Bioorg Med Chem 25: 1448-1455 (2017)


Article DOI: 10.1016/j.bmc.2017.01.007
BindingDB Entry DOI: 10.7270/Q2RJ4MNF
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Staphylococcus aureus)		BDBM50211506
PNG
(CHEMBL3961159)
Show SMILES Cc1cc2nc(cc(-c3ccccc3)c2cc1C)-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C29H23NO/c1-20-16-27-26(22-10-5-3-6-11-22)19-28(30-29(27)17-21(20)2)23-12-9-15-25(18-23)31-24-13-7-4-8-14-24/h3-19H,1-2H3
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n/an/a 533n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase A expressed in Escherichia coli BL21(DE3) using relaxed pBR322 DNA as substrate incubated for 1 hr by ...

Bioorg Med Chem 25: 1448-1455 (2017)


Article DOI: 10.1016/j.bmc.2017.01.007
BindingDB Entry DOI: 10.7270/Q2RJ4MNF
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Staphylococcus aureus)		BDBM50211504
PNG
(CHEMBL3979162)
Show SMILES N#Cc1ccc2nc(cc(-c3ccccc3)c2c1)-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C28H18N2O/c29-19-20-14-15-27-26(16-20)25(21-8-3-1-4-9-21)18-28(30-27)22-10-7-13-24(17-22)31-23-11-5-2-6-12-23/h1-18H
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n/an/a 537n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase A expressed in Escherichia coli BL21(DE3) using relaxed pBR322 DNA as substrate incubated for 1 hr by ...

Bioorg Med Chem 25: 1448-1455 (2017)


Article DOI: 10.1016/j.bmc.2017.01.007
BindingDB Entry DOI: 10.7270/Q2RJ4MNF
More data for this
Ligand-Target Pair
DNA gyrase 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 600n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase 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 800n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50211507
PNG
(CHEMBL3908837)
Show SMILES Oc1ccc2nc(cc(-c3ccccc3)c2c1)-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C27H19NO2/c29-21-14-15-26-25(17-21)24(19-8-3-1-4-9-19)18-27(28-26)20-10-7-13-23(16-20)30-22-11-5-2-6-12-22/h1-18,29H
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n/an/a 842n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase A expressed in Escherichia coli BL21(DE3) using relaxed pBR322 DNA as substrate incubated for 1 hr by ...

Bioorg Med Chem 25: 1448-1455 (2017)


Article DOI: 10.1016/j.bmc.2017.01.007
BindingDB Entry DOI: 10.7270/Q2RJ4MNF
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Staphylococcus aureus)		BDBM50211476
PNG
(CHEMBL3899795)
Show SMILES Fc1ccc2nc(cc(-c3ccccc3)c2c1)-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C27H18FNO/c28-21-14-15-26-25(17-21)24(19-8-3-1-4-9-19)18-27(29-26)20-10-7-13-23(16-20)30-22-11-5-2-6-12-22/h1-18H
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n/an/a 912n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase A expressed in Escherichia coli BL21(DE3) using relaxed pBR322 DNA as substrate incubated for 1 hr by ...

Bioorg Med Chem 25: 1448-1455 (2017)


Article DOI: 10.1016/j.bmc.2017.01.007
BindingDB Entry DOI: 10.7270/Q2RJ4MNF
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Staphylococcus aureus)		BDBM50330317
PNG
(5-Methyl-1H-pyrrole-2-carboxylic acid (3R,4S,5R,6S...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |r,wU:3.3,13.14,wD:2.1,15.16,(-8.34,-2.73,;-8.34,-1.19,;-7.01,-.42,;-7.01,1.12,;-8.34,1.89,;-9.68,1.12,;-9.68,-.42,;-11.01,1.89,;-11.17,3.42,;-12.68,3.74,;-13.45,2.4,;-14.98,2.24,;-12.42,1.26,;-5.68,1.89,;-5.68,3.43,;-4.34,1.12,;-3.01,1.89,;-1.67,1.12,;-1.67,-.42,;-.34,-1.19,;.99,-.42,;2.33,-1.19,;2.33,-2.73,;3.66,-.42,;4.99,-1.19,;6.33,-.42,;6.33,1.12,;7.66,-1.19,;7.66,-2.73,;8.99,-3.5,;10.33,-2.73,;11.66,-3.5,;10.33,-1.19,;11.66,-.42,;13,-1.19,;14.33,-.42,;15.66,-1.19,;14.33,1.12,;8.99,-.42,;3.66,1.12,;4.99,1.89,;2.33,1.89,;.99,1.12,;-.34,1.89,;-.34,3.43,;-4.34,-.42,;-5.68,-1.19,;-6.67,-2.37,;-4.69,-2.37,)|
Show InChI InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1
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n/an/a 929n/an/an/an/an/an/a



VIT University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase A expressed in Escherichia coli BL21(DE3) using relaxed pBR322 DNA as substrate incubated for 1 hr by ...

Bioorg Med Chem 25: 1448-1455 (2017)


Article DOI: 10.1016/j.bmc.2017.01.007
BindingDB Entry DOI: 10.7270/Q2RJ4MNF
More data for this
Ligand-Target Pair
DNA gyrase subunit A


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



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA measured after 60 mins b...

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 gyrase 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 1.10E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase 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 1.10E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50518922
PNG
(CHEMBL4441397)
Show SMILES O=c1cc(N[C@H]2C[C@H](C2)N2CCN(CC2)c2nccc3ccccc23)c2ccccc2o1 |r,wU:7.9,5.4,(23.93,-35.73,;22.38,-35.72,;21.61,-34.37,;20.07,-34.37,;19.31,-33.03,;17.76,-33.02,;16.66,-34.11,;15.57,-33.01,;16.67,-31.92,;14.02,-33.01,;13.25,-34.35,;11.71,-34.34,;10.93,-33,;11.71,-31.66,;13.26,-31.66,;9.39,-33,;8.62,-31.67,;7.07,-31.67,;6.31,-33.01,;7.09,-34.32,;6.31,-35.65,;7.08,-36.98,;8.62,-36.98,;9.38,-35.66,;8.62,-34.34,;19.3,-35.7,;17.76,-35.69,;16.98,-37.02,;17.75,-38.36,;19.28,-38.36,;20.05,-37.04,;21.6,-37.05,)|
Show InChI InChI=1S/C26H26N4O2/c31-25-17-23(22-7-3-4-8-24(22)32-25)28-19-15-20(16-19)29-11-13-30(14-12-29)26-21-6-2-1-5-18(21)9-10-27-26/h1-10,17,19-20,28H,11-16H2/t19-,20+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50518913
PNG
(CHEMBL4575351)
Show SMILES Fc1ccc2ccnc(N3CCN(CCCNc4cc(=O)oc5CCSCc45)CC3)c2c1
Show InChI InChI=1S/C24H27FN4O2S/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)31-22-5-13-32-16-20(21)22/h2-4,7,14-15,26H,1,5-6,8-13,16H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase 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 1.50E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase 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 1.60E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50408209
PNG
(CHEMBL4173813)
Show SMILES CSc1[nH]c2c(ccc(c2c(=O)c1C(C)=O)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H9F6NO2S/c1-5(22)8-11(23)9-6(13(15,16)17)3-4-7(14(18,19)20)10(9)21-12(8)24-2/h3-4H,1-2H3,(H,21,23)
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n/an/a 1.92E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase subunit A supercoiling activity using relaxed pBR322 DNA as substrate after 60 mins by agarose gel ele...

Eur J Med Chem 154: 144-154 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.021
BindingDB Entry DOI: 10.7270/Q2833VMP
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Staphylococcus aureus)		BDBM50518920
PNG
(CHEMBL4465692)
Show SMILES Cc1cccc2oc(=O)cc(NCCCN3CCN(CC3)c3nccc4ccc(F)cc34)c12
Show InChI InChI=1S/C26H27FN4O2/c1-18-4-2-5-23-25(18)22(17-24(32)33-23)28-9-3-11-30-12-14-31(15-13-30)26-21-16-20(27)7-6-19(21)8-10-29-26/h2,4-8,10,16-17,28H,3,9,11-15H2,1H3
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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 gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50408211
PNG
(CHEMBL4176073)
Show SMILES CSc1[nH]c2c(F)ccc(c2c(=O)c1C(C)=O)C(F)(F)F
Show InChI InChI=1S/C13H9F4NO2S/c1-5(19)8-11(20)9-6(13(15,16)17)3-4-7(14)10(9)18-12(8)21-2/h3-4H,1-2H3,(H,18,20)
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n/an/a 2.47E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase subunit A supercoiling activity using relaxed pBR322 DNA as substrate after 60 mins by agarose gel ele...

Eur J Med Chem 154: 144-154 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.021
BindingDB Entry DOI: 10.7270/Q2833VMP
More data for this
Ligand-Target Pair
DNA gyrase 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 2.60E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50518938
PNG
(CHEMBL4445613)
Show SMILES Fc1ccc2ccnc(N3CCN(CCCNc4cc(=O)oc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C25H25FN4O2/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 2.80E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50483850
PNG
(CHEMBL1774147)
Show SMILES [H][C@]1(CCN(C1)c1c(F)cc2c(c1OC)n(C1CC1)c1s[nH]c(=O)c1c2=O)[C@H](C)N |r|
Show InChI InChI=1S/C20H23FN4O3S/c1-9(22)10-5-6-24(8-10)16-13(21)7-12-15(18(16)28-2)25(11-3-4-11)20-14(17(12)26)19(27)23-29-20/h7,9-11H,3-6,8,22H2,1-2H3,(H,23,27)/t9-,10+/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase Ser84Leu mutant assessed as inhibition of supercoiling of pBR322 DNA after 60 min by gel electrophores...

J Med Chem 54: 3268-82 (2011)


Article DOI: 10.1021/jm101604v
BindingDB Entry DOI: 10.7270/Q28S4SRX
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Staphylococcus aureus)		BDBM50518935
PNG
(CHEMBL4591085)
Show SMILES O=c1cc(NCCCN2CCN(CC2)c2nc(cc3ccccc23)C#N)c2ccccc2o1
Show InChI InChI=1S/C26H25N5O2/c27-18-20-16-19-6-1-2-7-21(19)26(29-20)31-14-12-30(13-15-31)11-5-10-28-23-17-25(32)33-24-9-4-3-8-22(23)24/h1-4,6-9,16-17,28H,5,10-15H2
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n/an/a 3.60E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50518946
PNG
(CHEMBL4548671)
Show SMILES O=c1cc(NCCCN2CCN(CC2)c2nccc3ccccc23)c2CCCCc2o1
Show InChI InChI=1S/C25H30N4O2/c30-24-18-22(21-8-3-4-9-23(21)31-24)26-11-5-13-28-14-16-29(17-15-28)25-20-7-2-1-6-19(20)10-12-27-25/h1-2,6-7,10,12,18,26H,3-5,8-9,11,13-17H2
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n/an/a 3.70E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase 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 3.90E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50330327
PNG
((R)-7-(3-(2-aminopropan-2-yl)pyrrolidin-1-yl)-9-cy...)
Show SMILES COc1c(N2CC[C@H](C2)C(C)(C)N)c(F)cc2c1n(C1CC1)c1s[nH]c(=O)c1c2=O |r|
Show InChI InChI=1S/C21H25FN4O3S/c1-21(2,23)10-6-7-25(9-10)16-13(22)8-12-15(18(16)29-3)26(11-4-5-11)20-14(17(12)27)19(28)24-30-20/h8,10-11H,4-7,9,23H2,1-3H3,(H,24,28)/t10-/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase Ser84Leu mutant assessed as inhibition of supercoiling of pBR322 DNA after 60 min by gel electrophores...

J Med Chem 54: 3268-82 (2011)


Article DOI: 10.1021/jm101604v
BindingDB Entry DOI: 10.7270/Q28S4SRX
More data for this
Ligand-Target Pair
DNA gyrase 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 4.50E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50518937
PNG
(CHEMBL4583024)
Show SMILES CN(C)c1ccc2ccnc(N3CCN(CCCNc4cc(=O)oc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C27H31N5O2/c1-30(2)21-9-8-20-10-12-29-27(23(20)18-21)32-16-14-31(15-17-32)13-5-11-28-24-19-26(33)34-25-7-4-3-6-22(24)25/h3-4,6-10,12,18-19,28H,5,11,13-17H2,1-2H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase 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 5.20E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50518927
PNG
(CHEMBL4549719)
Show SMILES O=c1cc(N[C@H]2C[C@@H](C2)N2CCN(CC2)c2nccc3ccccc23)c2ccccc2o1 |r,wU:7.9,wD:5.4,(48.21,-35.72,;46.66,-35.71,;45.89,-34.36,;44.35,-34.36,;43.58,-33.02,;42.04,-33.01,;40.95,-31.91,;39.85,-33,;40.94,-34.09,;38.3,-33,;37.53,-34.33,;35.99,-34.33,;35.21,-32.99,;35.98,-31.65,;37.54,-31.65,;33.67,-32.99,;32.9,-31.65,;31.35,-31.66,;30.59,-32.99,;31.37,-34.31,;30.59,-35.64,;31.36,-36.97,;32.9,-36.97,;33.66,-35.64,;32.9,-34.33,;43.57,-35.69,;42.04,-35.68,;41.26,-37,;42.03,-38.34,;43.56,-38.35,;44.33,-37.03,;45.87,-37.04,)|
Show InChI InChI=1S/C26H26N4O2/c31-25-17-23(22-7-3-4-8-24(22)32-25)28-19-15-20(16-19)29-11-13-30(14-12-29)26-21-6-2-1-5-18(21)9-10-27-26/h1-10,17,19-20,28H,11-16H2/t19-,20-
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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 gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50408210
PNG
(CHEMBL4167995)
Show SMILES CSc1[nH]c2cc(c(cc2c(=O)c1C(C)=O)C#N)C(F)(F)F
Show InChI InChI=1S/C14H9F3N2O2S/c1-6(20)11-12(21)8-3-7(5-18)9(14(15,16)17)4-10(8)19-13(11)22-2/h3-4H,1-2H3,(H,19,21)
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n/an/a 6.46E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase subunit A supercoiling activity using relaxed pBR322 DNA as substrate after 60 mins by agarose gel ele...

Eur J Med Chem 154: 144-154 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.021
BindingDB Entry DOI: 10.7270/Q2833VMP
More data for this
Ligand-Target Pair
DNA gyrase 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 6.80E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50518912
PNG
(CHEMBL4538641)
Show SMILES O=c1cc(NCCN2CCN(CC2)c2nccc3ccccc23)c2ccccc2o1
Show InChI InChI=1S/C24H24N4O2/c29-23-17-21(20-7-3-4-8-22(20)30-23)25-11-12-27-13-15-28(16-14-27)24-19-6-2-1-5-18(19)9-10-26-24/h1-10,17,25H,11-16H2
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n/an/a 6.90E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase 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 7.80E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50408213
PNG
(CHEMBL4160460)
Show SMILES CSc1[nH]c2c(Cl)cc(cc2c(=O)c1C(C)=O)C(F)(F)F
Show InChI InChI=1S/C13H9ClF3NO2S/c1-5(19)9-11(20)7-3-6(13(15,16)17)4-8(14)10(7)18-12(9)21-2/h3-4H,1-2H3,(H,18,20)
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n/an/a 8.01E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase subunit A supercoiling activity using relaxed pBR322 DNA as substrate after 60 mins by agarose gel ele...

Eur J Med Chem 154: 144-154 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.021
BindingDB Entry DOI: 10.7270/Q2833VMP
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Staphylococcus aureus)		BDBM50518947
PNG
(CHEMBL4527338)
Show SMILES Cc1ccc2ccnc(N3CCN(CCCNc4cc(=O)oc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C26H28N4O2/c1-19-7-8-20-9-11-28-26(22(20)17-19)30-15-13-29(14-16-30)12-4-10-27-23-18-25(31)32-24-6-3-2-5-21(23)24/h2-3,5-9,11,17-18,27H,4,10,12-16H2,1H3
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n/an/a 9.60E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50518928
PNG
(CHEMBL4544202)
Show SMILES Fc1ccc2ccnc(N3CCN(CCC(=O)Nc4cc(=O)oc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C25H23FN4O3/c26-18-6-5-17-7-9-27-25(20(17)15-18)30-13-11-29(12-14-30)10-8-23(31)28-21-16-24(32)33-22-4-2-1-3-19(21)22/h1-7,9,15-16H,8,10-14H2,(H,28,31)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50483851
PNG
(CHEMBL1774264)
Show SMILES [H][C@]1(CCN(C1)c1c(F)cc2c(c1OC)n(C1CC1)c1s[nH]c(=O)c1c2=O)[C@H](C)NCCF |r|
Show InChI InChI=1S/C22H26F2N4O3S/c1-11(25-7-6-23)12-5-8-27(10-12)18-15(24)9-14-17(20(18)31-2)28(13-3-4-13)22-16(19(14)29)21(30)26-32-22/h9,11-13,25H,3-8,10H2,1-2H3,(H,26,30)/t11-,12+/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase Ser84Leu mutant assessed as inhibition of supercoiling of pBR322 DNA after 60 min by gel electrophores...

J Med Chem 54: 3268-82 (2011)


Article DOI: 10.1021/jm101604v
BindingDB Entry DOI: 10.7270/Q28S4SRX
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Staphylococcus aureus)		BDBM50518936
PNG
(CHEMBL4538428)
Show SMILES Clc1cc2ccccc2c(n1)N1CCN(CCCNc2cc(=O)oc3ccccc23)CC1
Show InChI InChI=1S/C25H25ClN4O2/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 1.21E+4n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50518929
PNG
(CHEMBL4585210)
Show SMILES CN(CCCN1CCN(CC1)c1nccc2ccccc12)c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C26H28N4O2/c1-28(23-19-25(31)32-24-10-5-4-9-22(23)24)13-6-14-29-15-17-30(18-16-29)26-21-8-3-2-7-20(21)11-12-27-26/h2-5,7-12,19H,6,13-18H2,1H3
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n/an/a 1.21E+4n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50518939
PNG
(CHEMBL4531900)
Show SMILES O=c1cc(NCCCN2CCN(CC2)c2nccc3ccccc23)c2ccccc2o1
Show InChI InChI=1S/C25H26N4O2/c30-24-18-22(21-8-3-4-9-23(21)31-24)26-11-5-13-28-14-16-29(17-15-28)25-20-7-2-1-6-19(20)10-12-27-25/h1-4,6-10,12,18,26H,5,11,13-17H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase 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 1.49E+4n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase subunit A supercoiling activity using relaxed pBR322 DNA as substrate after 60 mins by agarose gel ele...

Eur J Med Chem 154: 144-154 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.021
BindingDB Entry DOI: 10.7270/Q2833VMP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
DNA gyrase subunit A


(Staphylococcus aureus)		BDBM50408207
PNG
(CHEMBL4171748)
Show SMILES CCSc1[nH]c2ccc(cc2c(=O)c1C(C)=O)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO2S/c1-3-21-13-11(7(2)19)12(20)9-6-8(14(15,16)17)4-5-10(9)18-13/h4-6H,3H2,1-2H3,(H,18,20)
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n/an/a 1.62E+4n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase subunit A supercoiling activity using relaxed pBR322 DNA as substrate after 60 mins by agarose gel ele...

Eur J Med Chem 154: 144-154 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.021
BindingDB Entry DOI: 10.7270/Q2833VMP
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Staphylococcus aureus)		BDBM50518917
PNG
(CHEMBL4453182)
Show SMILES Cc1c(NCCCN2CCN(CC2)c2nccc3ccc(F)cc23)c2ccccc2oc1=O
Show InChI InChI=1S/C26H27FN4O2/c1-18-24(21-5-2-3-6-23(21)33-26(18)32)28-10-4-12-30-13-15-31(16-14-30)25-22-17-20(27)8-7-19(22)9-11-29-25/h2-3,5-9,11,17,28H,4,10,12-16H2,1H3
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n/an/a 1.69E+4n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...

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 gyrase subunit A


(Staphylococcus aureus)		BDBM50483849
PNG
(CHEMBL1774153)
Show SMILES [H][C@]1(CCN(C1)c1c(F)cc2c(c1OC)n(C1CC1)c1s[nH]c(=O)c1c2=O)[C@H](C)NC |r|
Show InChI InChI=1S/C21H25FN4O3S/c1-10(23-2)11-6-7-25(9-11)17-14(22)8-13-16(19(17)29-3)26(12-4-5-12)21-15(18(13)27)20(28)24-30-21/h8,10-12,23H,4-7,9H2,1-3H3,(H,24,28)/t10-,11+/m0/s1
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n/an/a 1.87E+4n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase Ser84Leu mutant assessed as inhibition of supercoiling of pBR322 DNA after 60 min by gel electrophores...

J Med Chem 54: 3268-82 (2011)


Article DOI: 10.1021/jm101604v
BindingDB Entry DOI: 10.7270/Q28S4SRX
More data for this
Ligand-Target Pair
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