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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50047539   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173889
PNG
(CHEMBL3809400)
Show SMILES C=CCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C17H13N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h2-7,9-10H,1,8H2,(H,20,21)
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n/an/a 4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


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



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50173879
PNG
(CHEMBL3810359)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21)
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n/an/a 6n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


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



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


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



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


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



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


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



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


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



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


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



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50173874
PNG
(CHEMBL3808699)
Show SMILES CCCn1c2[nH]nc(-c3ncc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)17-19-10-13(24-17)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21)
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n/an/a 9n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50173723
PNG
(CHEMBL3809816)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(CN(CC)CC)nc3)c2ccc1=O
Show InChI InChI=1S/C22H26N6OS/c1-4-11-28-19(29)10-9-17-20(25-26-21(17)28)18-13-24-22(30-18)15-7-8-16(23-12-15)14-27(5-2)6-3/h7-10,12-13H,4-6,11,14H2,1-3H3,(H,25,26)
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n/an/a 9n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50173722
PNG
(CHEMBL3809648)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(CN4CCN(C)CC4)nc3)c2ccc1=O
Show InChI InChI=1S/C23H27N7OS/c1-3-8-30-20(31)7-6-18-21(26-27-22(18)30)19-14-25-23(32-19)16-4-5-17(24-13-16)15-29-11-9-28(2)10-12-29/h4-7,13-14H,3,8-12,15H2,1-2H3,(H,26,27)
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n/an/a 10n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50173872
PNG
(CHEMBL3810056)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(=O)NCCN3CCOCC3)c2ccc1=O
Show InChI InChI=1S/C24H27N7O3S/c1-2-8-31-20(32)6-4-17-21(28-29-22(17)31)19-15-27-24(35-19)16-3-5-18(26-14-16)23(33)25-7-9-30-10-12-34-13-11-30/h3-6,14-15H,2,7-13H2,1H3,(H,25,33)(H,28,29)
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n/an/a 13n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50173876
PNG
(CHEMBL3808760)
Show SMILES CCCn1c2[nH]nc(-c3nc(C(=O)N(C)C)c(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C20H20N6O2S/c1-4-10-26-14(27)8-7-13-15(23-24-18(13)26)19-22-16(20(28)25(2)3)17(29-19)12-6-5-9-21-11-12/h5-9,11H,4,10H2,1-3H3,(H,23,24)
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n/an/a 13n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50173724
PNG
(CHEMBL3809114)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(=O)OC)c2ccc1=O
Show InChI InChI=1S/C19H17N5O3S/c1-3-8-24-15(25)7-5-12-16(22-23-17(12)24)14-10-21-18(28-14)11-4-6-13(20-9-11)19(26)27-2/h4-7,9-10H,3,8H2,1-2H3,(H,22,23)
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n/an/a 15n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50173605
PNG
(CHEMBL3808603)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)N(C)C)c2ccc1=O
Show InChI InChI=1S/C19H20N6OS/c1-4-9-25-16(26)8-6-13-17(22-23-18(13)25)14-11-21-19(27-14)12-5-7-15(20-10-12)24(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,22,23)
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n/an/a 15n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50173878
PNG
(CHEMBL3809316)
Show SMILES CCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C16H13N5OS/c1-2-21-13(22)6-5-11-14(19-20-15(11)21)12-9-18-16(23-12)10-4-3-7-17-8-10/h3-9H,2H2,1H3,(H,19,20)
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n/an/a 20n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50173719
PNG
(CHEMBL3808784)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(C)C)c2ccc1=O
Show InChI InChI=1S/C20H21N5OS/c1-4-9-25-17(26)8-6-14-18(23-24-19(14)25)16-11-22-20(27-16)13-5-7-15(12(2)3)21-10-13/h5-8,10-12H,4,9H2,1-3H3,(H,23,24)
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n/an/a 23n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50173882
PNG
(CHEMBL3809242)
Show SMILES CCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2cc(C)c1=O
Show InChI InChI=1S/C17H15N5OS/c1-3-22-15-12(7-10(2)17(22)23)14(20-21-15)13-9-19-16(24-13)11-5-4-6-18-8-11/h4-9H,3H2,1-2H3,(H,20,21)
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n/an/a 35n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50173890
PNG
(CHEMBL3809061)
Show SMILES Cn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C15H11N5OS/c1-20-12(21)5-4-10-13(18-19-14(10)20)11-8-17-15(22-11)9-3-2-6-16-7-9/h2-8H,1H3,(H,18,19)
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n/an/a 51n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Staphylococcus aureus)
BDBM50173879
PNG
(CHEMBL3810359)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21)
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n/an/a 183n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA parE ATPase activity incubated for 30 mins by fluorescence polarization assay


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


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


(Staphylococcus aureus)
BDBM50173877
PNG
(CHEMBL3810180)
Show SMILES CCCn1c2[nH]nc(C3CCN(CC3)c3nc(C(O)=O)c(C)s3)c2ccc1=O
Show InChI InChI=1S/C19H23N5O3S/c1-3-8-24-14(25)5-4-13-16(21-22-17(13)24)12-6-9-23(10-7-12)19-20-15(18(26)27)11(2)28-19/h4-5,12H,3,6-10H2,1-2H3,(H,21,22)(H,26,27)
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n/an/a 192n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50173881
PNG
(CHEMBL3810190)
Show SMILES CCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2cc(CO)c1=O
Show InChI InChI=1S/C17H15N5O2S/c1-2-22-15-12(6-11(9-23)17(22)24)14(20-21-15)13-8-19-16(25-13)10-4-3-5-18-7-10/h3-8,23H,2,9H2,1H3,(H,20,21)
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n/an/a 202n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50143184
PNG
(CHEMBL3759063)
Show SMILES O=c1ccc2c(n[nH]c2[nH]1)-c1cnc(s1)-c1cccnc1
Show InChI InChI=1S/C14H9N5OS/c20-11-4-3-9-12(18-19-13(9)17-11)10-7-16-14(21-10)8-2-1-5-15-6-8/h1-7H,(H2,17,18,19,20)
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n/an/a 270n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50173873
PNG
(CHEMBL3808846)
Show SMILES CCCn1c2[nH]nc(-c3cncs3)c2ccc1=O
Show InChI InChI=1S/C12H12N4OS/c1-2-5-16-10(17)4-3-8-11(14-15-12(8)16)9-6-13-7-18-9/h3-4,6-7H,2,5H2,1H3,(H,14,15)
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n/an/a 279n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50173883
PNG
(CHEMBL3809203)
Show SMILES OCCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C16H13N5O2S/c22-7-6-21-13(23)4-3-11-14(19-20-15(11)21)12-9-18-16(24-12)10-2-1-5-17-8-10/h1-5,8-9,22H,6-7H2,(H,19,20)
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n/an/a 564n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Staphylococcus aureus)
BDBM50173878
PNG
(CHEMBL3809316)
Show SMILES CCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C16H13N5OS/c1-2-21-13(22)6-5-11-14(19-20-15(11)21)12-9-18-16(23-12)10-4-3-7-17-8-10/h3-9H,2H2,1H3,(H,19,20)
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n/an/a 746n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA parE ATPase activity incubated for 30 mins by fluorescence polarization assay


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


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


(Staphylococcus aureus)
BDBM50143186
PNG
(CHEMBL3759862)
Show SMILES O=c1cc(-c2ccccc2)c2c(n[nH]c2[nH]1)-c1cnc(s1)-c1cccnc1
Show InChI InChI=1S/C20H13N5OS/c26-16-9-14(12-5-2-1-3-6-12)17-18(24-25-19(17)23-16)15-11-22-20(27-15)13-7-4-8-21-10-13/h1-11H,(H2,23,24,25,26)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50143185
PNG
(CHEMBL3759272)
Show SMILES Cc1cc(=O)[nH]c2[nH]nc(-c3cnc(s3)-c3cccnc3)c12
Show InChI InChI=1S/C15H11N5OS/c1-8-5-11(21)18-14-12(8)13(19-20-14)10-7-17-15(22-10)9-3-2-4-16-6-9/h2-7H,1H3,(H2,18,19,20,21)
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n/an/a 3.25E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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


(Staphylococcus aureus)
BDBM50173880
PNG
(CHEMBL3810227)
Show SMILES CCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2cc(C(=O)NC)c1=O
Show InChI InChI=1S/C18H16N6O2S/c1-3-24-15-11(7-12(18(24)26)16(25)19-2)14(22-23-15)13-9-21-17(27-13)10-5-4-6-20-8-10/h4-9H,3H2,1-2H3,(H,19,25)(H,22,23)
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n/an/a 3.35E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


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