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PubMed code 24098982

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)		BDBM50006569
PNG
(CHEMBL3235089)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cncc(c1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C19H14F3N7O3S/c1-2-24-17(30)27-14-4-11(16-26-13(8-33-16)19(20,21)22)12(7-25-14)9-3-10(6-23-5-9)15-28-29-18(31)32-15/h3-8H,2H2,1H3,(H,29,31)(H2,24,25,27,30)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006570
PNG
(CHEMBL3235090)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cncc(c1)-c1nnc(C)o1
Show InChI InChI=1S/C20H16F3N7O2S/c1-3-25-19(31)28-16-5-13(18-27-15(9-33-18)20(21,22)23)14(8-26-16)11-4-12(7-24-6-11)17-30-29-10(2)32-17/h4-9H,3H2,1-2H3,(H2,25,26,28,31)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006565
PNG
(CHEMBL3235085)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cncc(c1)C(O)=O
Show InChI InChI=1S/C18H14F3N5O3S/c1-2-23-17(29)26-14-4-11(15-25-13(8-30-15)18(19,20)21)12(7-24-14)9-3-10(16(27)28)6-22-5-9/h3-8H,2H2,1H3,(H,27,28)(H2,23,24,26,29)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006566
PNG
(CHEMBL3235086)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cncc(c1)C(N)=O
Show InChI InChI=1S/C18H15F3N6O2S/c1-2-24-17(29)27-14-4-11(16-26-13(8-30-16)18(19,20)21)12(7-25-14)9-3-10(15(22)28)6-23-5-9/h3-8H,2H2,1H3,(H2,22,28)(H2,24,25,27,29)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006567
PNG
(CHEMBL3235087)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1ncc(s1)C(O)=O
Show InChI InChI=1S/C16H12F3N5O3S2/c1-2-20-15(27)24-11-3-7(13-23-10(6-28-13)16(17,18)19)8(4-21-11)12-22-5-9(29-12)14(25)26/h3-6H,2H2,1H3,(H,25,26)(H2,20,21,24,27)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006568
PNG
(CHEMBL3235088)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1nc2cccc(C(O)=O)c2s1
Show InChI InChI=1S/C20H14F3N5O3S2/c1-2-24-19(31)28-14-6-10(16-27-13(8-32-16)20(21,22)23)11(7-25-14)17-26-12-5-3-4-9(18(29)30)15(12)33-17/h3-8H,2H2,1H3,(H,29,30)(H2,24,25,28,31)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006603
PNG
(CHEMBL3235094)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cncc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C18H14F3N9OS/c1-2-23-17(31)26-14-4-11(16-25-13(8-32-16)18(19,20)21)12(7-24-14)9-3-10(6-22-5-9)15-27-29-30-28-15/h3-8H,2H2,1H3,(H2,23,24,26,31)(H,27,28,29,30)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006602
PNG
(CHEMBL3235093)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cncc(c1)C#N
Show InChI InChI=1S/C18H13F3N6OS/c1-2-24-17(28)27-15-4-12(16-26-14(9-29-16)18(19,20)21)13(8-25-15)11-3-10(5-22)6-23-7-11/h3-4,6-9H,2H2,1H3,(H2,24,25,27,28)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006605
PNG
(CHEMBL3235096)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cncc(c1)-c1noc(=O)[nH]1
Show InChI InChI=1S/C19H14F3N7O3S/c1-2-24-17(30)27-14-4-11(16-26-13(8-33-16)19(20,21)22)12(7-25-14)9-3-10(6-23-5-9)15-28-18(31)32-29-15/h3-8H,2H2,1H3,(H,28,29,31)(H2,24,25,27,30)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006564
PNG
(CHEMBL3235084)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(C)(C)C)c(cn1)-c1cncc(c1)C(O)=O
Show InChI InChI=1S/C21H23N5O3S/c1-5-23-20(29)26-17-7-14(18-25-16(11-30-18)21(2,3)4)15(10-24-17)12-6-13(19(27)28)9-22-8-12/h6-11H,5H2,1-4H3,(H,27,28)(H2,23,24,26,29)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006558
PNG
(CHEMBL3235078)
Show SMILES CCNC(=O)Nc1ccc(cn1)-c1nc2cccc(C(N)=O)c2s1
Show InChI InChI=1S/C16H15N5O2S/c1-2-18-16(23)21-12-7-6-9(8-19-12)15-20-11-5-3-4-10(14(17)22)13(11)24-15/h3-8H,2H2,1H3,(H2,17,22)(H2,18,19,21,23)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006571
PNG
(CHEMBL3235091)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cncc(c1)-c1nc(C)no1
Show InChI InChI=1S/C20H16F3N7O2S/c1-3-25-19(31)29-16-5-13(18-28-15(9-33-18)20(21,22)23)14(8-26-16)11-4-12(7-24-6-11)17-27-10(2)30-32-17/h4-9H,3H2,1-2H3,(H2,25,26,29,31)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006563
PNG
(CHEMBL3235083)
Show SMILES CCNC(=O)Nc1cc(-c2ccccc2)c(cn1)-c1cncc(c1)C(O)=O
Show InChI InChI=1S/C20H18N4O3/c1-2-22-20(27)24-18-9-16(13-6-4-3-5-7-13)17(12-23-18)14-8-15(19(25)26)11-21-10-14/h3-12H,2H2,1H3,(H,25,26)(H2,22,23,24,27)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006604
PNG
(CHEMBL3235095)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cncc(c1)C(\N)=N\O
Show InChI InChI=1S/C18H16F3N7O2S/c1-2-24-17(29)27-14-4-11(16-26-13(8-31-16)18(19,20)21)12(7-25-14)9-3-10(6-23-5-9)15(22)28-30/h3-8,30H,2H2,1H3,(H2,22,28)(H2,24,25,27,29)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006556
PNG
(CHEMBL3235076)
Show SMILES CCNC(=O)Nc1ccc(cn1)-c1nc2cccc(C(O)=O)c2s1
Show InChI InChI=1S/C16H14N4O3S/c1-2-17-16(23)20-12-7-6-9(8-18-12)14-19-11-5-3-4-10(15(21)22)13(11)24-14/h3-8H,2H2,1H3,(H,21,22)(H2,17,18,20,23)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006559
PNG
(CHEMBL3235079)
Show SMILES CCNC(=O)Nc1cc(Cl)c(cn1)-c1cncc(c1)C(O)=O
Show InChI InChI=1S/C14H13ClN4O3/c1-2-17-14(22)19-12-4-11(15)10(7-18-12)8-3-9(13(20)21)6-16-5-8/h3-7H,2H2,1H3,(H,20,21)(H2,17,18,19,22)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006562
PNG
(CHEMBL3235082)
Show SMILES CCNC(=O)Nc1cc(-c2cccnc2)c(cn1)-c1cncc(c1)C(O)=O
Show InChI InChI=1S/C19H17N5O3/c1-2-22-19(27)24-17-7-15(12-4-3-5-20-8-12)16(11-23-17)13-6-14(18(25)26)10-21-9-13/h3-11H,2H2,1H3,(H,25,26)(H2,22,23,24,27)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006555
PNG
(CHEMBL3235075)
Show SMILES CCNC(=O)Nc1ccc(cn1)-c1ncc(s1)C(O)=O
Show InChI InChI=1S/C12H12N4O3S/c1-2-13-12(19)16-9-4-3-7(5-14-9)10-15-6-8(20-10)11(17)18/h3-6H,2H2,1H3,(H,17,18)(H2,13,14,16,19)
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n/an/a 270n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006601
PNG
(CHEMBL3235092)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cncc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C22H19F3N6O2S/c1-4-27-21(32)30-18-6-15(20-29-17(10-34-20)22(23,24)25)16(9-28-18)13-5-14(8-26-7-13)19-11(2)31-33-12(19)3/h5-10H,4H2,1-3H3,(H2,27,28,30,32)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006560
PNG
(CHEMBL3235080)
Show SMILES CCNC(=O)Nc1cc(Br)c(cn1)-c1cncc(c1)C(O)=O
Show InChI InChI=1S/C14H13BrN4O3/c1-2-17-14(22)19-12-4-11(15)10(7-18-12)8-3-9(13(20)21)6-16-5-8/h3-7H,2H2,1H3,(H,20,21)(H2,17,18,19,22)
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n/an/a 300n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006561
PNG
(CHEMBL3235081)
Show SMILES CCNC(=O)Nc1cc(-c2ccncc2)c(cn1)-c1cncc(c1)C(O)=O
Show InChI InChI=1S/C19H17N5O3/c1-2-22-19(27)24-17-8-15(12-3-5-20-6-4-12)16(11-23-17)13-7-14(18(25)26)10-21-9-13/h3-11H,2H2,1H3,(H,25,26)(H2,22,23,24,27)
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n/an/a 320n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006557
PNG
(CHEMBL3235077)
Show SMILES CCNC(=O)Nc1ccc(cn1)-c1ncc(s1)C(N)=O
Show InChI InChI=1S/C12H13N5O2S/c1-2-14-12(19)17-9-4-3-7(5-15-9)11-16-6-8(20-11)10(13)18/h3-6H,2H2,1H3,(H2,13,18)(H2,14,15,17,19)
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n/an/a 550n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006554
PNG
(CHEMBL3235074)
Show SMILES CCNC(=O)Nc1ccc(cn1)-c1cncc(c1)C(O)=O
Show InChI InChI=1S/C14H14N4O3/c1-2-16-14(21)18-12-4-3-9(8-17-12)10-5-11(13(19)20)7-15-6-10/h3-8H,2H2,1H3,(H,19,20)(H2,16,17,18,21)
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n/an/a 850n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006553
PNG
(CHEMBL3235073)
Show SMILES CCNC(=O)Nc1ccc(cn1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H15N3O3/c1-2-16-15(21)18-13-8-7-12(9-17-13)10-3-5-11(6-4-10)14(19)20/h3-9H,2H2,1H3,(H,19,20)(H2,16,17,18,21)
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n/an/a 880n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006547
PNG
(CHEMBL3235070)
Show SMILES CCNC(=O)Nc1ccc(cn1)-c1cccnc1
Show InChI InChI=1S/C13H14N4O/c1-2-15-13(18)17-12-6-5-11(9-16-12)10-4-3-7-14-8-10/h3-9H,2H2,1H3,(H2,15,16,17,18)
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n/an/a 2.70E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006550
PNG
(CHEMBL3235072)
Show SMILES CCNC(=O)Nc1ccc(cn1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C15H15N3O3/c1-2-16-15(21)18-13-7-6-12(9-17-13)10-4-3-5-11(8-10)14(19)20/h3-9H,2H2,1H3,(H,19,20)(H2,16,17,18,21)
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n/an/a 3.40E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006548
PNG
(CHEMBL3235071)
Show SMILES CCNC(=O)Nc1ccc(cn1)-c1nc(cs1)C(O)=O
Show InChI InChI=1S/C12H12N4O3S/c1-2-13-12(19)16-9-4-3-7(5-14-9)10-15-8(6-20-10)11(17)18/h3-6H,2H2,1H3,(H,17,18)(H2,13,14,16,19)
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n/an/a 3.60E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006545
PNG
(CHEMBL3235069)
Show SMILES CCNC(=O)Nc1ccc(Oc2cccc(c2)C(O)=O)cn1
Show InChI InChI=1S/C15H15N3O4/c1-2-16-15(21)18-13-7-6-12(9-17-13)22-11-5-3-4-10(8-11)14(19)20/h3-9H,2H2,1H3,(H,19,20)(H2,16,17,18,21)
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n/an/a 9.90E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006454
PNG
(CHEMBL2007232)
Show SMILES CCNC(=O)Nc1ccccn1
Show InChI InChI=1S/C8H11N3O/c1-2-9-8(12)11-7-5-3-4-6-10-7/h3-6H,2H2,1H3,(H2,9,10,11,12)
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n/an/a 3.20E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006541
PNG
(CHEMBL3235066)
Show SMILES CCN(CC)C(=O)Nc1ccccn1
Show InChI InChI=1S/C10H15N3O/c1-3-13(4-2)10(14)12-9-7-5-6-8-11-9/h5-8H,3-4H2,1-2H3,(H,11,12,14)
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n/an/a 3.80E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006451
PNG
(CHEMBL3235060)
Show SMILES CCNC(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H12N4O/c1-2-11-10(15)14-9-12-7-5-3-4-6-8(7)13-9/h3-6H,2H2,1H3,(H3,11,12,13,14,15)
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n/an/a 6.40E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006544
PNG
(CHEMBL3235068)
Show SMILES CCNC(=O)Nc1ncccn1
Show InChI InChI=1S/C7H10N4O/c1-2-8-7(12)11-6-9-4-3-5-10-6/h3-5H,2H2,1H3,(H2,8,9,10,11,12)
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n/an/a 8.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006453
PNG
(CHEMBL3235062)
Show SMILES CNC(=O)Nc1ccccn1
Show InChI InChI=1S/C7H9N3O/c1-8-7(11)10-6-4-2-3-5-9-6/h2-5H,1H3,(H2,8,9,10,11)
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n/an/a 1.00E+5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006455
PNG
(CHEMBL3235063)
Show SMILES O=C(NCC#C)Nc1ccccn1
Show InChI InChI=1S/C9H9N3O/c1-2-6-11-9(13)12-8-5-3-4-7-10-8/h1,3-5,7H,6H2,(H2,10,11,12,13)
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n/an/a 3.50E+5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006452
PNG
(CHEMBL3235061)
Show SMILES CCNC(=O)Nc1ccccc1
Show InChI InChI=1S/C9H12N2O/c1-2-10-9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11,12)
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006495
PNG
(CHEMBL1346325)
Show SMILES FC(F)(F)CNC(=O)Nc1ccccn1
Show InChI InChI=1S/C8H8F3N3O/c9-8(10,11)5-13-7(15)14-6-3-1-2-4-12-6/h1-4H,5H2,(H2,12,13,14,15)
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006457
PNG
(CHEMBL3235065)
Show SMILES O=C(NC1CC1)Nc1ccccn1
Show InChI InChI=1S/C9H11N3O/c13-9(11-7-4-5-7)12-8-3-1-2-6-10-8/h1-3,6-7H,4-5H2,(H2,10,11,12,13)
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n/an/a 1.00E+6n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006456
PNG
(CHEMBL3235064)
Show SMILES CCCNC(=O)Nc1ccccn1
Show InChI InChI=1S/C9H13N3O/c1-2-6-11-9(13)12-8-5-3-4-7-10-8/h3-5,7H,2,6H2,1H3,(H2,10,11,12,13)
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50006542
PNG
(CHEMBL3235067)
Show SMILES CCOC(=O)Nc1ccccn1
Show InChI InChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-5-3-4-6-9-7/h3-6H,2H2,1H3,(H,9,10,11)
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based...

Cell Chem Biol 56: 8712-35 (2013)


Article DOI: 10.1021/jm401208b
BindingDB Entry DOI: 10.7270/Q26H4JWF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%