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PubMed code 26460684

Compile data set for download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499015
PNG
(CHEMBL3736321)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(Br)cn2)c2cc(cnc12)-c1ccn(CCO)c(=O)c1
Show InChI InChI=1S/C21H20BrN7O3/c1-2-23-21(32)27-16-12-29(20-25-10-15(22)11-26-20)17-7-14(9-24-19(16)17)13-3-4-28(5-6-30)18(31)8-13/h3-4,7-12,30H,2,5-6H2,1H3,(H2,23,27,32)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499034
PNG
(CHEMBL3736385)
Show SMILES CCNC(=O)Nc1cn(-c2nccc(CCO)n2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C21H21N7O2/c1-2-23-21(30)27-17-13-28(20-24-8-5-16(26-20)6-9-29)18-10-15(12-25-19(17)18)14-4-3-7-22-11-14/h3-5,7-8,10-13,29H,2,6,9H2,1H3,(H2,23,27,30)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499014
PNG
(CHEMBL3735341)
Show SMILES CCNC(=O)Nc1cn(-c2ncccn2)c2cc(cnc12)-n1cnc(c1)C(=O)NC1CC1
Show InChI InChI=1S/C21H21N9O2/c1-2-22-21(32)28-15-11-30(20-23-6-3-7-24-20)17-8-14(9-25-18(15)17)29-10-16(26-12-29)19(31)27-13-4-5-13/h3,6-13H,2,4-5H2,1H3,(H,27,31)(H2,22,28,32)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499047
PNG
(CHEMBL3735577)
Show SMILES CCNC(=O)Nc1cn(-c2ncccn2)c2cc(cnc12)-c1ccn(C)c(=O)c1
Show InChI InChI=1S/C20H19N7O2/c1-3-21-20(29)25-15-12-27(19-22-6-4-7-23-19)16-9-14(11-24-18(15)16)13-5-8-26(2)17(28)10-13/h4-12H,3H2,1-2H3,(H2,21,25,29)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499028
PNG
(CHEMBL3736056)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(C)cn2)c2cc(cnc12)-c1ccn(C)c(=O)c1
Show InChI InChI=1S/C21H21N7O2/c1-4-22-21(30)26-16-12-28(20-24-9-13(2)10-25-20)17-7-15(11-23-19(16)17)14-5-6-27(3)18(29)8-14/h5-12H,4H2,1-3H3,(H2,22,26,30)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499020
PNG
(CHEMBL3735121)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(C)c(CCCC(O)=O)n2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C24H25N7O3/c1-3-26-24(34)30-19-14-31(23-28-11-15(2)18(29-23)7-4-8-21(32)33)20-10-17(13-27-22(19)20)16-6-5-9-25-12-16/h5-6,9-14H,3-4,7-8H2,1-2H3,(H,32,33)(H2,26,30,34)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499022
PNG
(CHEMBL3735336)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(cn2)C#N)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C20H16N8O/c1-2-23-20(29)27-16-12-28(19-25-8-13(7-21)9-26-19)17-6-15(11-24-18(16)17)14-4-3-5-22-10-14/h3-6,8-12H,2H2,1H3,(H2,23,27,29)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499027
PNG
(CHEMBL3736376)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(Cl)cn2)c2cc(cnc12)-c1cnc(nc1)C#N
Show InChI InChI=1S/C19H14ClN9O/c1-2-22-19(30)28-14-10-29(18-26-8-13(20)9-27-18)15-3-11(5-25-17(14)15)12-6-23-16(4-21)24-7-12/h3,5-10H,2H2,1H3,(H2,22,28,30)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499012
PNG
(CHEMBL3736517)
Show SMILES CCNC(=O)Nc1cn(-c2nccc(CCCO)n2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C22H23N7O2/c1-2-24-22(31)28-18-14-29(21-25-9-7-17(27-21)6-4-10-30)19-11-16(13-26-20(18)19)15-5-3-8-23-12-15/h3,5,7-9,11-14,30H,2,4,6,10H2,1H3,(H2,24,28,31)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499048
PNG
(CHEMBL3736023)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(CC)cn2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C21H21N7O/c1-3-14-9-25-20(26-10-14)28-13-17(27-21(29)23-4-2)19-18(28)8-16(12-24-19)15-6-5-7-22-11-15/h5-13H,3-4H2,1-2H3,(H2,23,27,29)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499045
PNG
(CHEMBL3736253)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(C)c(CCC(O)=O)n2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C23H23N7O3/c1-3-25-23(33)29-18-13-30(22-27-10-14(2)17(28-22)6-7-20(31)32)19-9-16(12-26-21(18)19)15-5-4-8-24-11-15/h4-5,8-13H,3,6-7H2,1-2H3,(H,31,32)(H2,25,29,33)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499033
PNG
(CHEMBL3736147)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(C)cn2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C20H19N7O/c1-3-22-20(28)26-16-12-27(19-24-8-13(2)9-25-19)17-7-15(11-23-18(16)17)14-5-4-6-21-10-14/h4-12H,3H2,1-2H3,(H2,22,26,28)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499042
PNG
(CHEMBL3735435)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(CC)cn2)c2cc(cnc12)-c1ccn(C)c(=O)c1
Show InChI InChI=1S/C22H23N7O2/c1-4-14-10-25-21(26-11-14)29-13-17(27-22(31)23-5-2)20-18(29)8-16(12-24-20)15-6-7-28(3)19(30)9-15/h6-13H,4-5H2,1-3H3,(H2,23,27,31)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499019
PNG
(CHEMBL3735826)
Show SMILES CCNC(=O)Nc1cn(-c2ncccn2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C19H17N7O/c1-2-21-19(27)25-15-12-26(18-22-7-4-8-23-18)16-9-14(11-24-17(15)16)13-5-3-6-20-10-13/h3-12H,2H2,1H3,(H2,21,25,27)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499021
PNG
(CHEMBL3734860)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(Cl)cn2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C19H16ClN7O/c1-2-22-19(28)26-15-11-27(18-24-9-14(20)10-25-18)16-6-13(8-23-17(15)16)12-4-3-5-21-7-12/h3-11H,2H2,1H3,(H2,22,26,28)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499029
PNG
(CHEMBL3735238)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(Br)cn2)c2cc(cnc12)-c1ccn(C)c(=O)c1
Show InChI InChI=1S/C20H18BrN7O2/c1-3-22-20(30)26-15-11-28(19-24-9-14(21)10-25-19)16-6-13(8-23-18(15)16)12-4-5-27(2)17(29)7-12/h4-11H,3H2,1-2H3,(H2,22,26,30)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499016
PNG
(CHEMBL3735130)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(F)cn2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C19H16FN7O/c1-2-22-19(28)26-15-11-27(18-24-9-14(20)10-25-18)16-6-13(8-23-17(15)16)12-4-3-5-21-7-12/h3-11H,2H2,1H3,(H2,22,26,28)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499031
PNG
(CHEMBL3735134)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(Br)cn2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C19H16BrN7O/c1-2-22-19(28)26-15-11-27(18-24-9-14(20)10-25-18)16-6-13(8-23-17(15)16)12-4-3-5-21-7-12/h3-11H,2H2,1H3,(H2,22,26,28)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499018
PNG
(CHEMBL3736222)
Show SMILES CCNC(=O)Nc1cn(-c2ccccn2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C20H18N6O/c1-2-22-20(27)25-16-13-26(18-7-3-4-9-23-18)17-10-15(12-24-19(16)17)14-6-5-8-21-11-14/h3-13H,2H2,1H3,(H2,22,25,27)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499036
PNG
(CHEMBL3735737)
Show SMILES CCNC(=O)Nc1cn(-c2nccc(C)n2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C20H19N7O/c1-3-22-20(28)26-16-12-27(19-23-8-6-13(2)25-19)17-9-15(11-24-18(16)17)14-5-4-7-21-10-14/h4-12H,3H2,1-2H3,(H2,22,26,28)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499037
PNG
(CHEMBL3736246)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(OC)cn2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C20H19N7O2/c1-3-22-20(28)26-16-12-27(19-24-10-15(29-2)11-25-19)17-7-14(9-23-18(16)17)13-5-4-6-21-8-13/h4-12H,3H2,1-2H3,(H2,22,26,28)
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n/an/a 143n/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 as substrate incubated for 30 mins by fluorescence polarizati...

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499043
PNG
(CHEMBL3736504)
Show SMILES CCNC(=O)Nc1cn(C2CCCC=C2)c2cc(cnc12)-c1cccnc1 |c:13|
Show InChI InChI=1S/C21H23N5O/c1-2-23-21(27)25-18-14-26(17-8-4-3-5-9-17)19-11-16(13-24-20(18)19)15-7-6-10-22-12-15/h4,6-8,10-14,17H,2-3,5,9H2,1H3,(H2,23,25,27)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499049
PNG
(CHEMBL3735875)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(Cl)cn2)c2cc(cnc12)-c1ccn(C)c(=O)c1
Show InChI InChI=1S/C20H18ClN7O2/c1-3-22-20(30)26-15-11-28(19-24-9-14(21)10-25-19)16-6-13(8-23-18(15)16)12-4-5-27(2)17(29)7-12/h4-11H,3H2,1-2H3,(H2,22,26,30)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499026
PNG
(CHEMBL3735188)
Show SMILES CCNC(=O)Nc1cn(C(=O)C=C)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C18H17N5O2/c1-3-16(24)23-11-14(22-18(25)20-4-2)17-15(23)8-13(10-21-17)12-6-5-7-19-9-12/h3,5-11H,1,4H2,2H3,(H2,20,22,25)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499025
PNG
(CHEMBL3735216)
Show SMILES CCNC(=O)Nc1cn(C2CCCCC2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C21H25N5O/c1-2-23-21(27)25-18-14-26(17-8-4-3-5-9-17)19-11-16(13-24-20(18)19)15-7-6-10-22-12-15/h6-7,10-14,17H,2-5,8-9H2,1H3,(H2,23,25,27)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499046
PNG
(CHEMBL3735055)
Show SMILES CCNC(=O)Nc1cn(CC=C)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C18H19N5O/c1-3-8-23-12-15(22-18(24)20-4-2)17-16(23)9-14(11-21-17)13-6-5-7-19-10-13/h3,5-7,9-12H,1,4,8H2,2H3,(H2,20,22,24)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499032
PNG
(CHEMBL3736233)
Show SMILES CCNC(=O)Nc1cn(C(=O)c2ccccn2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C21H18N6O2/c1-2-23-21(29)26-17-13-27(20(28)16-7-3-4-9-24-16)18-10-15(12-25-19(17)18)14-6-5-8-22-11-14/h3-13H,2H2,1H3,(H2,23,26,29)
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n/an/a 1.13E+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 as substrate incubated for 30 mins by fluorescence polarizati...

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499044
PNG
(CHEMBL3735073)
Show SMILES CCNC(=O)Nc1cn(CC(O)CO)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C18H21N5O3/c1-2-20-18(26)22-15-10-23(9-14(25)11-24)16-6-13(8-21-17(15)16)12-4-3-5-19-7-12/h3-8,10,14,24-25H,2,9,11H2,1H3,(H2,20,22,26)
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n/an/a 1.22E+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 as substrate incubated for 30 mins by fluorescence polarizati...

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499023
PNG
(CHEMBL3735099)
Show SMILES CCNC(=O)Nc1cn(C)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C16H17N5O/c1-3-18-16(22)20-13-10-21(2)14-7-12(9-19-15(13)14)11-5-4-6-17-8-11/h4-10H,3H2,1-2H3,(H2,18,20,22)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499035
PNG
(CHEMBL3734929)
Show SMILES CCNC(=O)Nc1cn(-c2ncccc2C)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C21H20N6O/c1-3-23-21(28)26-17-13-27(20-14(2)6-4-9-24-20)18-10-16(12-25-19(17)18)15-7-5-8-22-11-15/h4-13H,3H2,1-2H3,(H2,23,26,28)
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n/an/a 1.90E+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 as substrate incubated for 30 mins by fluorescence polarizati...

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499024
PNG
(CHEMBL3735471)
Show SMILES CCNC(=O)Nc1cn(CCOC)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C18H21N5O2/c1-3-20-18(24)22-15-12-23(7-8-25-2)16-9-14(11-21-17(15)16)13-5-4-6-19-10-13/h4-6,9-12H,3,7-8H2,1-2H3,(H2,20,22,24)
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n/an/a 2.40E+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 as substrate incubated for 30 mins by fluorescence polarizati...

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499041
PNG
(CHEMBL3735431)
Show SMILES CCNC(=O)Nc1nc(CO)c(s1)-c1ccc[nH]1
Show InChI InChI=1S/C11H14N4O2S/c1-2-12-10(17)15-11-14-8(6-16)9(18-11)7-4-3-5-13-7/h3-5,13,16H,2,6H2,1H3,(H2,12,14,15,17)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499013
PNG
(CHEMBL3736371)
Show SMILES CCNC(=O)Nc1cn(Cc2ccccc2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C22H21N5O/c1-2-24-22(28)26-19-15-27(14-16-7-4-3-5-8-16)20-11-18(13-25-21(19)20)17-9-6-10-23-12-17/h3-13,15H,2,14H2,1H3,(H2,24,26,28)
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n/an/a 3.20E+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 as substrate incubated for 30 mins by fluorescence polarizati...

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499039
PNG
(CHEMBL3734950)
Show SMILES CCNC(=O)Nc1cn(C2CCN(C)C2=O)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C20H22N6O2/c1-3-22-20(28)24-15-12-26(16-6-8-25(2)19(16)27)17-9-14(11-23-18(15)17)13-5-4-7-21-10-13/h4-5,7,9-12,16H,3,6,8H2,1-2H3,(H2,22,24,28)
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n/an/a 5.29E+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 as substrate incubated for 30 mins by fluorescence polarizati...

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499030
PNG
(CHEMBL3736029)
Show SMILES CCNC(=O)Nc1nc(\C=C\c2cccnc2)c(s1)-c1ccc[nH]1
Show InChI InChI=1S/C17H17N5OS/c1-2-19-16(23)22-17-21-14(8-7-12-5-3-9-18-11-12)15(24-17)13-6-4-10-20-13/h3-11,20H,2H2,1H3,(H2,19,21,22,23)/b8-7+
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499040
PNG
(CHEMBL3735112)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(Cl)cn2)c2cc(cnc12)-c1cccnc1F
Show InChI InChI=1S/C19H15ClFN7O/c1-2-22-19(29)27-14-10-28(18-25-8-12(20)9-26-18)15-6-11(7-24-16(14)15)13-4-3-5-23-17(13)21/h3-10H,2H2,1H3,(H2,22,27,29)
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n/an/a 6.06E+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 as substrate incubated for 30 mins by fluorescence polarizati...

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499017
PNG
(CHEMBL3735006)
Show SMILES CCNC(=O)Nc1cn(C2CCN(C)CC2)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C21H26N6O/c1-3-23-21(28)25-18-14-27(17-6-9-26(2)10-7-17)19-11-16(13-24-20(18)19)15-5-4-8-22-12-15/h4-5,8,11-14,17H,3,6-7,9-10H2,1-2H3,(H2,23,25,28)
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n/an/a 6.42E+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 as substrate incubated for 30 mins by fluorescence polarizati...

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499011
PNG
(CHEMBL3735833)
Show SMILES CCNC(=O)Nc1c[nH]c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C15H15N5O/c1-2-17-15(21)20-13-9-18-12-6-11(8-19-14(12)13)10-4-3-5-16-7-10/h3-9,18H,2H2,1H3,(H2,17,20,21)
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Cubist Pharmaceuticals Inc

Curated by ChEMBL


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

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50499038
PNG
(CHEMBL3736232)
Show SMILES CCNC(=O)Nc1cn(-c2ncc(cn2)C(F)(F)F)c2cc(cnc12)-c1cccnc1
Show InChI InChI=1S/C20H16F3N7O/c1-2-25-19(31)29-15-11-30(18-27-9-14(10-28-18)20(21,22)23)16-6-13(8-26-17(15)16)12-4-3-5-24-7-12/h3-11H,2H2,1H3,(H2,25,29,31)
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n/an/a>1.00E+5n/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 as substrate incubated for 30 mins by fluorescence polarizati...

J Med Chem 58: 8503-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00961
BindingDB Entry DOI: 10.7270/Q24B34BK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%