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PubMed code 24405701

Compile data set for download or QSAR
Found 30 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


(Mycobacterium smegmatis)
BDBM50447299
PNG
(CHEMBL3114208)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cc(C)n(CCOC)c(=O)c3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C21H27N5O4S/c1-6-22-20(29)24-21-23-16-11-15(18(28)26(12(2)3)19(16)31-21)14-9-13(4)25(7-8-30-5)17(27)10-14/h9-12H,6-8H2,1-5H3,(H2,22,23,24,29)
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n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447303
PNG
(CHEMBL3114202)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(c3)C#N)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C18H18N6O2S/c1-4-21-17(26)23-18-22-14-6-13(12-5-11(7-19)8-20-9-12)15(25)24(10(2)3)16(14)27-18/h5-6,8-10H,4H2,1-3H3,(H2,21,22,23,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447301
PNG
(CHEMBL3114206)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cc(C)n(CC)c(=O)c3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C20H25N5O3S/c1-6-21-19(28)23-20-22-15-10-14(17(27)25(11(3)4)18(15)29-20)13-8-12(5)24(7-2)16(26)9-13/h8-11H,6-7H2,1-5H3,(H2,21,22,23,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447300
PNG
(CHEMBL3114207)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(CCOC)c(=O)c3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C20H25N5O4S/c1-5-21-19(28)23-20-22-15-11-14(17(27)25(12(2)3)18(15)30-20)13-6-7-24(8-9-29-4)16(26)10-13/h6-7,10-12H,5,8-9H2,1-4H3,(H2,21,22,23,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447305
PNG
(CHEMBL3114200)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(OC)c3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C18H21N5O3S/c1-5-20-17(25)22-18-21-14-7-13(11-6-12(26-4)9-19-8-11)15(24)23(10(2)3)16(14)27-18/h6-10H,5H2,1-4H3,(H2,20,21,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447297
PNG
(CHEMBL3114210)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn4ncnc4c3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C18H19N7O2S/c1-4-19-17(27)23-18-22-13-8-12(15(26)25(10(2)3)16(13)28-18)11-5-6-24-14(7-11)20-9-21-24/h5-10H,4H2,1-3H3,(H2,19,22,23,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447307
PNG
(CHEMBL3114198)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(F)c3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C17H18FN5O2S/c1-4-20-16(25)22-17-21-13-6-12(10-5-11(18)8-19-7-10)14(24)23(9(2)3)15(13)26-17/h5-9H,4H2,1-3H3,(H2,20,21,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447296
PNG
(CHEMBL3114191)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc4ncnn4c3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C18H19N7O2S/c1-4-19-17(27)23-18-22-13-7-12(15(26)25(10(2)3)16(13)28-18)11-5-6-14-20-9-21-24(14)8-11/h5-10H,4H2,1-3H3,(H2,19,22,23,27)
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447311
PNG
(CHEMBL3114223)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC3CCOCC3)c2s1
Show InChI InChI=1S/C20H23N5O3S/c1-2-22-19(27)24-20-23-16-10-15(14-4-3-7-21-11-14)17(26)25(18(16)29-20)12-13-5-8-28-9-6-13/h3-4,7,10-11,13H,2,5-6,8-9,12H2,1H3,(H2,22,23,24,27)
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447304
PNG
(CHEMBL3114201)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc(nc3)C#N)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C18H18N6O2S/c1-4-20-17(26)23-18-22-14-7-13(11-5-6-12(8-19)21-9-11)15(25)24(10(2)3)16(14)27-18/h5-7,9-10H,4H2,1-3H3,(H2,20,22,23,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447294
PNG
(CHEMBL3114193)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc4cnnn4c3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C18H19N7O2S/c1-4-19-17(27)22-18-21-14-7-13(15(26)25(10(2)3)16(14)28-18)11-5-6-12-8-20-23-24(12)9-11/h5-10H,4H2,1-3H3,(H2,19,21,22,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447295
PNG
(CHEMBL3114192)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc4nnnn4c3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C17H18N8O2S/c1-4-18-16(27)20-17-19-12-7-11(14(26)25(9(2)3)15(12)28-17)10-5-6-13-21-22-23-24(13)8-10/h5-9H,4H2,1-3H3,(H2,18,19,20,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447302
PNG
(CHEMBL3114204)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc(nc3)-c3nnnn3C)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C19H21N9O2S/c1-5-20-18(30)23-19-22-14-8-12(16(29)28(10(2)3)17(14)31-19)11-6-7-13(21-9-11)15-24-25-26-27(15)4/h6-10H,5H2,1-4H3,(H2,20,22,23,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447312
PNG
(CHEMBL3114222)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC3CCCCC3)c2s1
Show InChI InChI=1S/C21H25N5O2S/c1-2-23-20(28)25-21-24-17-11-16(15-9-6-10-22-12-15)18(27)26(19(17)29-21)13-14-7-4-3-5-8-14/h6,9-12,14H,2-5,7-8,13H2,1H3,(H2,23,24,25,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447322
PNG
(CHEMBL3114212)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cncnc3)c(OC)nc2s1
Show InChI InChI=1S/C14H14N6O2S/c1-3-17-13(21)20-14-18-10-4-9(8-5-15-7-16-6-8)11(22-2)19-12(10)23-14/h4-7H,3H2,1-2H3,(H2,17,18,20,21)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447306
PNG
(CHEMBL3114199)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc(OC)nc3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C18H21N5O3S/c1-5-19-17(25)22-18-21-13-8-12(11-6-7-14(26-4)20-9-11)15(24)23(10(2)3)16(13)27-18/h6-10H,5H2,1-4H3,(H2,19,21,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447308
PNG
(CHEMBL3114197)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cncnc3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C16H18N6O2S/c1-4-19-15(24)21-16-20-12-5-11(10-6-17-8-18-7-10)13(23)22(9(2)3)14(12)25-16/h5-9H,4H2,1-3H3,(H2,19,20,21,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447315
PNG
(CHEMBL3114219)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC(C)C)c2s1
Show InChI InChI=1S/C18H21N5O2S/c1-4-20-17(25)22-18-21-14-8-13(12-6-5-7-19-9-12)15(24)23(10-11(2)3)16(14)26-18/h5-9,11H,4,10H2,1-3H3,(H2,20,21,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447319
PNG
(CHEMBL3114215)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC)c2s1
Show InChI InChI=1S/C16H17N5O2S/c1-3-18-15(23)20-16-19-12-8-11(10-6-5-7-17-9-10)13(22)21(4-2)14(12)24-16/h5-9H,3-4H2,1-2H3,(H2,18,19,20,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447313
PNG
(CHEMBL3114221)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CCC(C)C)c2s1
Show InChI InChI=1S/C19H23N5O2S/c1-4-21-18(26)23-19-22-15-10-14(13-6-5-8-20-11-13)16(25)24(17(15)27-19)9-7-12(2)3/h5-6,8,10-12H,4,7,9H2,1-3H3,(H2,21,22,23,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447316
PNG
(CHEMBL3114218)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC(F)F)c2s1
Show InChI InChI=1S/C16H15F2N5O2S/c1-2-20-15(25)22-16-21-11-6-10(9-4-3-5-19-7-9)13(24)23(8-12(17)18)14(11)26-16/h3-7,12H,2,8H2,1H3,(H2,20,21,22,25)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447317
PNG
(CHEMBL3114217)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC3CC3)c2s1
Show InChI InChI=1S/C18H19N5O2S/c1-2-20-17(25)22-18-21-14-8-13(12-4-3-7-19-9-12)15(24)23(16(14)26-18)10-11-5-6-11/h3-4,7-9,11H,2,5-6,10H2,1H3,(H2,20,21,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447318
PNG
(CHEMBL3114216)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C17H19N5O2S/c1-4-19-16(24)21-17-20-13-8-12(11-6-5-7-18-9-11)14(23)22(10(2)3)15(13)25-17/h5-10H,4H2,1-3H3,(H2,19,20,21,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447314
PNG
(CHEMBL3114220)
Show SMILES CC(C)CCn1c2sc(NC(=O)NCC=C)nc2cc(-c2cccnc2)c1=O
Show InChI InChI=1S/C20H23N5O2S/c1-4-8-22-19(27)24-20-23-16-11-15(14-6-5-9-21-12-14)17(26)25(18(16)28-20)10-7-13(2)3/h4-6,9,11-13H,1,7-8,10H2,2-3H3,(H2,22,23,24,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447321
PNG
(CHEMBL3114213)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cncnc3)c(=O)[nH]c2s1
Show InChI InChI=1S/C13H12N6O2S/c1-2-16-12(21)19-13-17-9-3-8(7-4-14-6-15-5-7)10(20)18-11(9)22-13/h3-6H,2H2,1H3,(H,18,20)(H2,16,17,19,21)
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n/an/a 84n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447309
PNG
(CHEMBL3114196)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(C(C)C(N)=O)c2s1
Show InChI InChI=1S/C17H18N6O3S/c1-3-20-16(26)22-17-21-12-7-11(10-5-4-6-19-8-10)14(25)23(15(12)27-17)9(2)13(18)24/h4-9H,3H2,1-2H3,(H2,18,24)(H2,20,21,22,26)
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n/an/a 107n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447320
PNG
(CHEMBL3114214)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc(F)nc3)c(=O)n(C)c2s1
Show InChI InChI=1S/C15H14FN5O2S/c1-3-17-14(23)20-15-19-10-6-9(8-4-5-11(16)18-7-8)12(22)21(2)13(10)24-15/h4-7H,3H2,1-2H3,(H2,17,19,20,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447298
PNG
(CHEMBL3114209)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc(=O)n(CCOC)c3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C20H25N5O4S/c1-5-21-19(28)23-20-22-15-10-14(17(27)25(12(2)3)18(15)30-20)13-6-7-16(26)24(11-13)8-9-29-4/h6-7,10-12H,5,8-9H2,1-4H3,(H2,21,22,23,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447293
PNG
(CHEMBL3114194)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc4nncn4c3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C18H19N7O2S/c1-4-19-17(27)22-18-21-13-7-12(15(26)25(10(2)3)16(13)28-18)11-5-6-14-23-20-9-24(14)8-11/h5-10H,4H2,1-3H3,(H2,19,21,22,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447310
PNG
(CHEMBL3114195)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(C(C)C(O)=O)c2s1
Show InChI InChI=1S/C17H17N5O4S/c1-3-19-16(26)21-17-20-12-7-11(10-5-4-6-18-8-10)13(23)22(14(12)27-17)9(2)15(24)25/h4-9H,3H2,1-2H3,(H,24,25)(H2,19,20,21,26)
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n/an/a 2.87E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%