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Compile Data Set for Download or QSAR

Found 268 hits Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit B' AND taxid = 1772   
Target
(Institution)
LigandTarget
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)
BDBM50010376
PNG
(CHEMBL3263618)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(CCOC)c(=O)c3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C22H27N5O5S/c1-3-23-21(29)26-22-24-17-11-16(15-4-6-27(7-9-30-2)18(28)10-15)19(25-20(17)33-22)32-13-14-5-8-31-12-14/h4,6,10-11,14H,3,5,7-9,12-13H2,1-2H3,(H2,23,24,26,29)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010373
PNG
(CHEMBL3263615)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(C)c(=O)c3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C20H23N5O4S/c1-3-21-19(27)24-20-22-15-9-14(13-4-6-25(2)16(26)8-13)17(23-18(15)30-20)29-11-12-5-7-28-10-12/h4,6,8-9,12H,3,5,7,10-11H2,1-2H3,(H2,21,22,24,27)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010340
PNG
(CHEMBL3263621)
Show SMILES CCNC(=O)Nc1nc2cc(c(OCC3CCOC3)nc2s1)-c1ccn(CCN2CCOCC2)c(=O)c1
Show InChI InChI=1S/C25H32N6O5S/c1-2-26-24(33)29-25-27-20-14-19(22(28-23(20)37-25)36-16-17-4-10-35-15-17)18-3-5-31(21(32)13-18)7-6-30-8-11-34-12-9-30/h3,5,13-14,17H,2,4,6-12,15-16H2,1H3,(H2,26,27,29,33)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
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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AstraZeneca

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010377
PNG
(CHEMBL3263619)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(CCOC)c(=O)c3)c(O[C@@H]3CCOC3)nc2s1
Show InChI InChI=1S/C21H25N5O5S/c1-3-22-20(28)25-21-23-16-11-15(13-4-6-26(7-9-29-2)17(27)10-13)18(24-19(16)32-21)31-14-5-8-30-12-14/h4,6,10-11,14H,3,5,7-9,12H2,1-2H3,(H2,22,23,25,28)/t14-/m1/s1
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010339
PNG
(CHEMBL3263620)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(CCN(C)C)c(=O)c3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C23H30N6O4S/c1-4-24-22(31)27-23-25-18-12-17(16-5-7-29(19(30)11-16)9-8-28(2)3)20(26-21(18)34-23)33-14-15-6-10-32-13-15/h5,7,11-12,15H,4,6,8-10,13-14H2,1-3H3,(H2,24,25,27,31)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010338
PNG
(CHEMBL3259858)
Show SMILES CCNC(=O)Nc1nc2cc(c(N[C@H]3CCOC3)nc2s1)-c1ccn(CCOC)c(=O)c1
Show InChI InChI=1S/C21H26N6O4S/c1-3-22-20(29)26-21-24-16-11-15(13-4-6-27(7-9-30-2)17(28)10-13)18(25-19(16)32-21)23-14-5-8-31-12-14/h4,6,10-11,14H,3,5,7-9,12H2,1-2H3,(H,23,25)(H2,22,24,26,29)/t14-/m0/s1
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010371
PNG
(CHEMBL3263613)
Show SMILES CCNC(=O)Nc1nc2cc(c(OCC3CCOC3)nc2s1)-c1cncc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C25H32N6O5S/c1-2-27-24(32)30-25-28-21-12-20(22(29-23(21)37-25)36-16-17-3-7-34-15-17)18-11-19(14-26-13-18)35-10-6-31-4-8-33-9-5-31/h11-14,17H,2-10,15-16H2,1H3,(H2,27,28,30,32)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010374
PNG
(CHEMBL3263616)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cc(C)n(C)c(=O)c3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C21H25N5O4S/c1-4-22-20(28)25-21-23-16-9-15(14-7-12(2)26(3)17(27)8-14)18(24-19(16)31-21)30-11-13-5-6-29-10-13/h7-9,13H,4-6,10-11H2,1-3H3,(H2,22,23,25,28)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010347
PNG
(CHEMBL3263591)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C19H21N5O3S/c1-2-21-18(25)24-19-22-15-8-14(13-4-3-6-20-9-13)16(23-17(15)28-19)27-11-12-5-7-26-10-12/h3-4,6,8-9,12H,2,5,7,10-11H2,1H3,(H2,21,22,24,25)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010365
PNG
(CHEMBL3263607)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cnc(C)nc3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C19H22N6O3S/c1-3-20-18(26)25-19-23-15-6-14(13-7-21-11(2)22-8-13)16(24-17(15)29-19)28-10-12-4-5-27-9-12/h6-8,12H,3-5,9-10H2,1-2H3,(H2,20,23,25,26)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010362
PNG
(CHEMBL3263604)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(F)c3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C19H20FN5O3S/c1-2-22-18(26)25-19-23-15-6-14(12-5-13(20)8-21-7-12)16(24-17(15)29-19)28-10-11-3-4-27-9-11/h5-8,11H,2-4,9-10H2,1H3,(H2,22,23,25,26)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010364
PNG
(CHEMBL3263606)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(OC)c3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C20H23N5O4S/c1-3-22-19(26)25-20-23-16-7-15(13-6-14(27-2)9-21-8-13)17(24-18(16)30-20)29-11-12-4-5-28-10-12/h6-9,12H,3-5,10-11H2,1-2H3,(H2,22,23,25,26)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010375
PNG
(CHEMBL3263617)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cc(C(C)C)n(C)c(=O)c3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C23H29N5O4S/c1-5-24-22(30)27-23-25-17-10-16(15-8-18(13(2)3)28(4)19(29)9-15)20(26-21(17)33-23)32-12-14-6-7-31-11-14/h8-10,13-14H,5-7,11-12H2,1-4H3,(H2,24,25,27,30)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010348
PNG
(CHEMBL3263592)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OC3CCOCC3)nc2s1
Show InChI InChI=1S/C19H21N5O3S/c1-2-21-18(25)24-19-22-15-10-14(12-4-3-7-20-11-12)16(23-17(15)28-19)27-13-5-8-26-9-6-13/h3-4,7,10-11,13H,2,5-6,8-9H2,1H3,(H2,21,22,24,25)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010360
PNG
(CHEMBL3263603)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc(F)nc3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C19H20FN5O3S/c1-2-21-18(26)25-19-23-14-7-13(12-3-4-15(20)22-8-12)16(24-17(14)29-19)28-10-11-5-6-27-9-11/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,21,23,25,26)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010370
PNG
(CHEMBL3263612)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(OCCN(C)C)c3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C23H30N6O4S/c1-4-25-22(30)28-23-26-19-10-18(16-9-17(12-24-11-16)32-8-6-29(2)3)20(27-21(19)34-23)33-14-15-5-7-31-13-15/h9-12,15H,4-8,13-14H2,1-3H3,(H2,25,26,28,30)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010372
PNG
(CHEMBL3263614)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cnn(C)c3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C18H22N6O3S/c1-3-19-17(25)23-18-21-14-6-13(12-7-20-24(2)8-12)15(22-16(14)28-18)27-10-11-4-5-26-9-11/h6-8,11H,3-5,9-10H2,1-2H3,(H2,19,21,23,25)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010352
PNG
(CHEMBL3263596)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cncnc3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C18H20N6O3S/c1-2-21-17(25)24-18-22-14-5-13(12-6-19-10-20-7-12)15(23-16(14)28-18)27-9-11-3-4-26-8-11/h5-7,10-11H,2-4,8-9H2,1H3,(H2,21,22,24,25)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
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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AstraZeneca

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010363
PNG
(CHEMBL3263605)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc(C)nc3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C20H23N5O3S/c1-3-21-19(26)25-20-23-16-8-15(14-5-4-12(2)22-9-14)17(24-18(16)29-20)28-11-13-6-7-27-10-13/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H2,21,23,25,26)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010346
PNG
(CHEMBL3263590)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(O[C@@H](C)COC)nc2s1
Show InChI InChI=1S/C18H21N5O3S/c1-4-20-17(24)23-18-21-14-8-13(12-6-5-7-19-9-12)15(22-16(14)27-18)26-11(2)10-25-3/h5-9,11H,4,10H2,1-3H3,(H2,20,21,23,24)/t11-/m0/s1
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010367
PNG
(CHEMBL3263609)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(c3)C#N)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C20H20N6O3S/c1-2-23-19(27)26-20-24-16-6-15(14-5-13(7-21)8-22-9-14)17(25-18(16)30-20)29-11-12-3-4-28-10-12/h5-6,8-9,12H,2-4,10-11H2,1H3,(H2,23,24,26,27)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010349
PNG
(CHEMBL3263593)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(O[C@@H]3CCOC3)nc2s1
Show InChI InChI=1S/C18H19N5O3S/c1-2-20-17(24)23-18-21-14-8-13(11-4-3-6-19-9-11)15(22-16(14)27-18)26-12-5-7-25-10-12/h3-4,6,8-9,12H,2,5,7,10H2,1H3,(H2,20,21,23,24)/t12-/m1/s1
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010366
PNG
(CHEMBL3263608)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc(nc3)C#N)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C20H20N6O3S/c1-2-22-19(27)26-20-24-16-7-15(13-3-4-14(8-21)23-9-13)17(25-18(16)30-20)29-11-12-5-6-28-10-12/h3-4,7,9,12H,2,5-6,10-11H2,1H3,(H2,22,24,26,27)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
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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AstraZeneca

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010369
PNG
(CHEMBL3263611)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc(OCCN(C)C)nc3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C23H30N6O4S/c1-4-24-22(30)28-23-26-18-11-17(16-5-6-19(25-12-16)32-10-8-29(2)3)20(27-21(18)34-23)33-14-15-7-9-31-13-15/h5-6,11-12,15H,4,7-10,13-14H2,1-3H3,(H2,24,26,28,30)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010351
PNG
(CHEMBL3263595)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cncnc3)c(OCCOC)nc2s1
Show InChI InChI=1S/C16H18N6O3S/c1-3-19-15(23)22-16-20-12-6-11(10-7-17-9-18-8-10)13(21-14(12)26-16)25-5-4-24-2/h6-9H,3-5H2,1-2H3,(H2,19,20,22,23)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010345
PNG
(CHEMBL3263589)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCCOC)nc2s1
Show InChI InChI=1S/C17H19N5O3S/c1-3-19-16(23)22-17-20-13-9-12(11-5-4-6-18-10-11)14(21-15(13)26-17)25-8-7-24-2/h4-6,9-10H,3,7-8H2,1-2H3,(H2,19,20,22,23)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010354
PNG
(CHEMBL3263598)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(NC3CCOCC3)nc2s1
Show InChI InChI=1S/C19H22N6O2S/c1-2-21-18(26)25-19-23-15-10-14(12-4-3-7-20-11-12)16(24-17(15)28-19)22-13-5-8-27-9-6-13/h3-4,7,10-11,13H,2,5-6,8-9H2,1H3,(H,22,24)(H2,21,23,25,26)
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010355
PNG
(CHEMBL3263599)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(N[C@H]3CCOC3)nc2s1
Show InChI InChI=1S/C18H20N6O2S/c1-2-20-17(25)24-18-22-14-8-13(11-4-3-6-19-9-11)15(23-16(14)27-18)21-12-5-7-26-10-12/h3-4,6,8-9,12H,2,5,7,10H2,1H3,(H,21,23)(H2,20,22,24,25)/t12-/m0/s1
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010350
PNG
(CHEMBL3263594)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(O[C@H]3CCOC3)nc2s1
Show InChI InChI=1S/C18H19N5O3S/c1-2-20-17(24)23-18-21-14-8-13(11-4-3-6-19-9-11)15(22-16(14)27-18)26-12-5-7-25-10-12/h3-4,6,8-9,12H,2,5,7,10H2,1H3,(H2,20,21,23,24)/t12-/m0/s1
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TBA

Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Citation and Details
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


Citation and Details
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)
PDB
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
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