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Compile Data Set for Download or QSAR

Found 48 hits from Birla Institute of Technology&Science   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126842
PNG
(CHEMBL3628523)
Show SMILES CCN1CCN(CCCOc2ccc(Nc3c(cnc4ccc(OC)cc34)C(O)=O)cc2)CC1
Show InChI InChI=1S/C26H32N4O4/c1-3-29-12-14-30(15-13-29)11-4-16-34-20-7-5-19(6-8-20)28-25-22-17-21(33-2)9-10-24(22)27-18-23(25)26(31)32/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,27,28)(H,31,32)
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n/an/a 860n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126797
PNG
(CHEMBL3628440)
Show SMILES NNC(=O)c1cnc2ccccc2c1Nc1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C23H27N5O3/c24-27-23(29)20-16-25-21-5-2-1-4-19(21)22(20)26-17-6-8-18(9-7-17)31-13-3-10-28-11-14-30-15-12-28/h1-2,4-9,16H,3,10-15,24H2,(H,25,26)(H,27,29)
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n/an/a 970n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126828
PNG
(CHEMBL3628358)
Show SMILES CCOC(=O)c1cnc2ccc(cc2c1Nc1ccc(OCCCN2CCN(CC)CC2)cc1)C(F)(F)F
Show InChI InChI=1S/C28H33F3N4O3/c1-3-34-13-15-35(16-14-34)12-5-17-38-22-9-7-21(8-10-22)33-26-23-18-20(28(29,30)31)6-11-25(23)32-19-24(26)27(36)37-4-2/h6-11,18-19H,3-5,12-17H2,1-2H3,(H,32,33)
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n/an/a 970n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126391
PNG
(CHEMBL3628453)
Show SMILES CCN1CCN(CCCNc2ccc(Nc3c(cnc4ccc(F)cc34)C(=O)NN)cc2)CC1
Show InChI InChI=1S/C25H32FN7O/c1-2-32-12-14-33(15-13-32)11-3-10-28-19-5-7-20(8-6-19)30-24-21-16-18(26)4-9-23(21)29-17-22(24)25(34)31-27/h4-9,16-17,28H,2-3,10-15,27H2,1H3,(H,29,30)(H,31,34)
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n/an/a 1.15E+3n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126177
PNG
(CHEMBL3628527)
Show SMILES CCN1CCN(CCCNc2ccc(Nc3c(cnc4ccc(OC)cc34)C(O)=O)cc2)CC1
Show InChI InChI=1S/C26H33N5O3/c1-3-30-13-15-31(16-14-30)12-4-11-27-19-5-7-20(8-6-19)29-25-22-17-21(34-2)9-10-24(22)28-18-23(25)26(32)33/h5-10,17-18,27H,3-4,11-16H2,1-2H3,(H,28,29)(H,32,33)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126482
PNG
(CHEMBL3628449)
Show SMILES CCN1CCN(CCCOc2ccc(Nc3c(cnc4ccc(F)cc34)C(=O)NN)cc2)CC1
Show InChI InChI=1S/C25H31FN6O2/c1-2-31-11-13-32(14-12-31)10-3-15-34-20-7-5-19(6-8-20)29-24-21-16-18(26)4-9-23(21)28-17-22(24)25(33)30-27/h4-9,16-17H,2-3,10-15,27H2,1H3,(H,28,29)(H,30,33)
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n/an/a 2.92E+3n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126392
PNG
(CHEMBL3628452)
Show SMILES CCN1CCN(CCCNc2ccc(Nc3c(cnc4ccc(OC)cc34)C(=O)NN)cc2)CC1
Show InChI InChI=1S/C26H35N7O2/c1-3-32-13-15-33(16-14-32)12-4-11-28-19-5-7-20(8-6-19)30-25-22-17-21(35-2)9-10-24(22)29-18-23(25)26(34)31-27/h5-10,17-18,28H,3-4,11-16,27H2,1-2H3,(H,29,30)(H,31,34)
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n/an/a 3.26E+3n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126834
PNG
(CHEMBL3628354)
Show SMILES CCOC(=O)c1cnc2ccc(cc2c1Nc1ccc(NCCCN2CCOCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C26H29F3N4O3/c1-2-36-25(34)22-17-31-23-9-4-18(26(27,28)29)16-21(23)24(22)32-20-7-5-19(6-8-20)30-10-3-11-33-12-14-35-15-13-33/h4-9,16-17,30H,2-3,10-15H2,1H3,(H,31,32)
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n/an/a 6.62E+3n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126178
PNG
(CHEMBL3628524)
Show SMILES CCN1CCN(CCCOc2ccc(Nc3c(cnc4ccc(F)cc34)C(O)=O)cc2)CC1
Show InChI InChI=1S/C25H29FN4O3/c1-2-29-11-13-30(14-12-29)10-3-15-33-20-7-5-19(6-8-20)28-24-21-16-18(26)4-9-23(21)27-17-22(24)25(31)32/h4-9,16-17H,2-3,10-15H2,1H3,(H,27,28)(H,31,32)
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n/an/a 6.82E+3n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126844
PNG
(CHEMBL3628521)
Show SMILES OC(=O)c1cnc2ccc(cc2c1Nc1ccc(NCCCN2CCOCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3/c25-24(26,27)16-2-7-21-19(14-16)22(20(15-29-21)23(32)33)30-18-5-3-17(4-6-18)28-8-1-9-31-10-12-34-13-11-31/h2-7,14-15,28H,1,8-13H2,(H,29,30)(H,32,33)
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n/an/a 7.89E+3n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126179
PNG
(CHEMBL3628525)
Show SMILES CCN1CCN(CCCOc2ccc(Nc3c(cnc4ccc(cc34)C(F)(F)F)C(O)=O)cc2)CC1
Show InChI InChI=1S/C26H29F3N4O3/c1-2-32-11-13-33(14-12-32)10-3-15-36-20-7-5-19(6-8-20)31-24-21-16-18(26(27,28)29)4-9-23(21)30-17-22(24)25(34)35/h4-9,16-17H,2-3,10-15H2,1H3,(H,30,31)(H,34,35)
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n/an/a 7.91E+3n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126800
PNG
(CHEMBL3628439)
Show SMILES CCOC(=O)c1cnc2ccc(cc2c1Nc1ccc(NCCCN2CCN(CC)CC2)cc1)C(F)(F)F
Show InChI InChI=1S/C28H34F3N5O2/c1-3-35-14-16-36(17-15-35)13-5-12-32-21-7-9-22(10-8-21)34-26-23-18-20(28(29,30)31)6-11-25(23)33-19-24(26)27(37)38-4-2/h6-11,18-19,32H,3-5,12-17H2,1-2H3,(H,33,34)
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n/an/a 8.82E+3n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126825
PNG
(CHEMBL3628437)
Show SMILES CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(NCCCN2CCN(CC)CC2)cc1
Show InChI InChI=1S/C28H37N5O3/c1-4-32-15-17-33(18-16-32)14-6-13-29-21-7-9-22(10-8-21)31-27-24-19-23(35-3)11-12-26(24)30-20-25(27)28(34)36-5-2/h7-12,19-20,29H,4-6,13-18H2,1-3H3,(H,30,31)
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n/an/a 9.55E+3n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126796
PNG
(CHEMBL3628441)
Show SMILES COc1ccc2ncc(C(=O)NN)c(Nc3ccc(OCCCN4CCOCC4)cc3)c2c1
Show InChI InChI=1S/C24H29N5O4/c1-31-19-7-8-22-20(15-19)23(21(16-26-22)24(30)28-25)27-17-3-5-18(6-4-17)33-12-2-9-29-10-13-32-14-11-29/h3-8,15-16H,2,9-14,25H2,1H3,(H,26,27)(H,28,30)
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n/an/a 1.06E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126478
PNG
(CHEMBL3628451)
Show SMILES CCN1CCN(CCCNc2ccc(Nc3c(cnc4ccccc34)C(=O)NN)cc2)CC1
Show InChI InChI=1S/C25H33N7O/c1-2-31-14-16-32(17-15-31)13-5-12-27-19-8-10-20(11-9-19)29-24-21-6-3-4-7-23(21)28-18-22(24)25(33)30-26/h3-4,6-11,18,27H,2,5,12-17,26H2,1H3,(H,28,29)(H,30,33)
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n/an/a 1.08E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126176
PNG
(CHEMBL3628526)
Show SMILES CCN1CCN(CCCNc2ccc(Nc3c(cnc4ccccc34)C(O)=O)cc2)CC1
Show InChI InChI=1S/C25H31N5O2/c1-2-29-14-16-30(17-15-29)13-5-12-26-19-8-10-20(11-9-19)28-24-21-6-3-4-7-23(21)27-18-22(24)25(31)32/h3-4,6-11,18,26H,2,5,12-17H2,1H3,(H,27,28)(H,31,32)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126182
PNG
(CHEMBL3628459)
Show SMILES OC(=O)c1cnc2ccccc2c1Nc1ccc(NCCCN2CCOCC2)cc1
Show InChI InChI=1S/C23H26N4O3/c28-23(29)20-16-25-21-5-2-1-4-19(21)22(20)26-18-8-6-17(7-9-18)24-10-3-11-27-12-14-30-15-13-27/h1-2,4-9,16,24H,3,10-15H2,(H,25,26)(H,28,29)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126835
PNG
(CHEMBL3628353)
Show SMILES CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(NCCCN2CCOCC2)cc1
Show InChI InChI=1S/C25H29FN4O3/c1-2-33-25(31)22-17-28-23-9-4-18(26)16-21(23)24(22)29-20-7-5-19(6-8-20)27-10-3-11-30-12-14-32-15-13-30/h4-9,16-17,27H,2-3,10-15H2,1H3,(H,28,29)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126826
PNG
(CHEMBL3628359)
Show SMILES CCOC(=O)c1cnc2ccccc2c1Nc1ccc(NCCCN2CCN(CC)CC2)cc1
Show InChI InChI=1S/C27H35N5O2/c1-3-31-16-18-32(19-17-31)15-7-14-28-21-10-12-22(13-11-21)30-26-23-8-5-6-9-25(23)29-20-24(26)27(33)34-4-2/h5-6,8-13,20,28H,3-4,7,14-19H2,1-2H3,(H,29,30)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126479
PNG
(CHEMBL3628450)
Show SMILES CCN1CCN(CCCOc2ccc(Nc3c(cnc4ccc(cc34)C(F)(F)F)C(=O)NN)cc2)CC1
Show InChI InChI=1S/C26H31F3N6O2/c1-2-34-11-13-35(14-12-34)10-3-15-37-20-7-5-19(6-8-20)32-24-21-16-18(26(27,28)29)4-9-23(21)31-17-22(24)25(36)33-30/h4-9,16-17H,2-3,10-15,30H2,1H3,(H,31,32)(H,33,36)
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n/an/a 1.19E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126547
PNG
(CHEMBL3628448)
Show SMILES CCN1CCN(CCCOc2ccc(Nc3c(cnc4ccc(OC)cc34)C(=O)NN)cc2)CC1
Show InChI InChI=1S/C26H34N6O3/c1-3-31-12-14-32(15-13-31)11-4-16-35-20-7-5-19(6-8-20)29-25-22-17-21(34-2)9-10-24(22)28-18-23(25)26(33)30-27/h5-10,17-18H,3-4,11-16,27H2,1-2H3,(H,28,29)(H,30,33)
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n/an/a 1.26E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126840
PNG
(CHEMBL3628348)
Show SMILES CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C26H31N3O5/c1-3-33-26(30)23-18-27-24-10-9-21(31-2)17-22(24)25(23)28-19-5-7-20(8-6-19)34-14-4-11-29-12-15-32-16-13-29/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,27,28)
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n/an/a 1.49E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126180
PNG
(CHEMBL3628520)
Show SMILES OC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(NCCCN2CCOCC2)cc1
Show InChI InChI=1S/C23H25FN4O3/c24-16-2-7-21-19(14-16)22(20(15-26-21)23(29)30)27-18-5-3-17(4-6-18)25-8-1-9-28-10-12-31-13-11-28/h2-7,14-15,25H,1,8-13H2,(H,26,27)(H,29,30)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126832
PNG
(CHEMBL3628356)
Show SMILES CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(OCCCN2CCN(CC)CC2)cc1
Show InChI InChI=1S/C28H36N4O4/c1-4-31-14-16-32(17-15-31)13-6-18-36-22-9-7-21(8-10-22)30-27-24-19-23(34-3)11-12-26(24)29-20-25(27)28(33)35-5-2/h7-12,19-20H,4-6,13-18H2,1-3H3,(H,29,30)
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n/an/a 1.59E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126839
PNG
(CHEMBL3628349)
Show SMILES CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C25H28FN3O4/c1-2-32-25(30)22-17-27-23-9-4-18(26)16-21(23)24(22)28-19-5-7-20(8-6-19)33-13-3-10-29-11-14-31-15-12-29/h4-9,16-17H,2-3,10-15H2,1H3,(H,27,28)
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n/an/a 1.69E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126824
PNG
(CHEMBL3628438)
Show SMILES CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(NCCCN2CCN(CC)CC2)cc1
Show InChI InChI=1S/C27H34FN5O2/c1-3-32-14-16-33(17-15-32)13-5-12-29-21-7-9-22(10-8-21)31-26-23-18-20(28)6-11-25(23)30-19-24(26)27(34)35-4-2/h6-11,18-19,29H,3-5,12-17H2,1-2H3,(H,30,31)
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n/an/a 1.69E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126837
PNG
(CHEMBL3628351)
Show SMILES CCOC(=O)c1cnc2ccccc2c1Nc1ccc(NCCCN2CCOCC2)cc1
Show InChI InChI=1S/C25H30N4O3/c1-2-32-25(30)22-18-27-23-7-4-3-6-21(23)24(22)28-20-10-8-19(9-11-20)26-12-5-13-29-14-16-31-17-15-29/h3-4,6-11,18,26H,2,5,12-17H2,1H3,(H,27,28)
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n/an/a 1.79E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126769
PNG
(CHEMBL3628446)
Show SMILES NNC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(NCCCN2CCOCC2)cc1
Show InChI InChI=1S/C23H27FN6O2/c24-16-2-7-21-19(14-16)22(20(15-27-21)23(31)29-25)28-18-5-3-17(4-6-18)26-8-1-9-30-10-12-32-13-11-30/h2-7,14-15,26H,1,8-13,25H2,(H,27,28)(H,29,31)
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n/an/a 1.87E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126388
PNG
(CHEMBL3628456)
Show SMILES COc1ccc2ncc(C(O)=O)c(Nc3ccc(OCCCN4CCOCC4)cc3)c2c1
Show InChI InChI=1S/C24H27N3O5/c1-30-19-7-8-22-20(15-19)23(21(16-25-22)24(28)29)26-17-3-5-18(6-4-17)32-12-2-9-27-10-13-31-14-11-27/h3-8,15-16H,2,9-14H2,1H3,(H,25,26)(H,28,29)
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n/an/a 2.06E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126795
PNG
(CHEMBL3628442)
Show SMILES NNC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C23H26FN5O3/c24-16-2-7-21-19(14-16)22(20(15-26-21)23(30)28-25)27-17-3-5-18(6-4-17)32-11-1-8-29-9-12-31-13-10-29/h2-7,14-15H,1,8-13,25H2,(H,26,27)(H,28,30)
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n/an/a 2.09E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126843
PNG
(CHEMBL3628522)
Show SMILES CCN1CCN(CCCOc2ccc(Nc3c(cnc4ccccc34)C(O)=O)cc2)CC1
Show InChI InChI=1S/C25H30N4O3/c1-2-28-13-15-29(16-14-28)12-5-17-32-20-10-8-19(9-11-20)27-24-21-6-3-4-7-23(21)26-18-22(24)25(30)31/h3-4,6-11,18H,2,5,12-17H2,1H3,(H,26,27)(H,30,31)
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n/an/a 2.17E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126836
PNG
(CHEMBL3628352)
Show SMILES CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(NCCCN2CCOCC2)cc1
Show InChI InChI=1S/C26H32N4O4/c1-3-34-26(31)23-18-28-24-10-9-21(32-2)17-22(24)25(23)29-20-7-5-19(6-8-20)27-11-4-12-30-13-15-33-16-14-30/h5-10,17-18,27H,3-4,11-16H2,1-2H3,(H,28,29)
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n/an/a 2.23E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126841
PNG
(CHEMBL3627727)
Show SMILES CCOC(=O)c1cnc2ccccc2c1Nc1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C25H29N3O4/c1-2-31-25(29)22-18-26-23-7-4-3-6-21(23)24(22)27-19-8-10-20(11-9-19)32-15-5-12-28-13-16-30-17-14-28/h3-4,6-11,18H,2,5,12-17H2,1H3,(H,26,27)
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n/an/a 2.28E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126830
PNG
(CHEMBL3628357)
Show SMILES CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(OCCCN2CCN(CC)CC2)cc1
Show InChI InChI=1S/C27H33FN4O3/c1-3-31-13-15-32(16-14-31)12-5-17-35-22-9-7-21(8-10-22)30-26-23-18-20(28)6-11-25(23)29-19-24(26)27(33)34-4-2/h6-11,18-19H,3-5,12-17H2,1-2H3,(H,29,30)
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n/an/a 2.36E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126390
PNG
(CHEMBL3628454)
Show SMILES CCN1CCN(CCCNc2ccc(Nc3c(cnc4ccc(cc34)C(F)(F)F)C(=O)NN)cc2)CC1
Show InChI InChI=1S/C26H32F3N7O/c1-2-35-12-14-36(15-13-35)11-3-10-31-19-5-7-20(8-6-19)33-24-21-16-18(26(27,28)29)4-9-23(21)32-17-22(24)25(37)34-30/h4-9,16-17,31H,2-3,10-15,30H2,1H3,(H,32,33)(H,34,37)
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n/an/a 2.63E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126183
PNG
(CHEMBL3628458)
Show SMILES OC(=O)c1cnc2ccc(cc2c1Nc1ccc(OCCCN2CCOCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O4/c25-24(26,27)16-2-7-21-19(14-16)22(20(15-28-21)23(31)32)29-17-3-5-18(6-4-17)34-11-1-8-30-9-12-33-13-10-30/h2-7,14-15H,1,8-13H2,(H,28,29)(H,31,32)
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n/an/a 2.78E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126681
PNG
(CHEMBL3628447)
Show SMILES CCN1CCN(CCCOc2ccc(Nc3c(cnc4ccccc34)C(=O)NN)cc2)CC1
Show InChI InChI=1S/C25H32N6O2/c1-2-30-13-15-31(16-14-30)12-5-17-33-20-10-8-19(9-11-20)28-24-21-6-3-4-7-23(21)27-18-22(24)25(32)29-26/h3-4,6-11,18H,2,5,12-17,26H2,1H3,(H,27,28)(H,29,32)
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n/an/a 2.84E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126184
PNG
(CHEMBL3628457)
Show SMILES OC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C23H24FN3O4/c24-16-2-7-21-19(14-16)22(20(15-25-21)23(28)29)26-17-3-5-18(6-4-17)31-11-1-8-27-9-12-30-13-10-27/h2-7,14-15H,1,8-13H2,(H,25,26)(H,28,29)
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n/an/a 3.13E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126794
PNG
(CHEMBL3628443)
Show SMILES NNC(=O)c1cnc2ccc(cc2c1Nc1ccc(OCCCN2CCOCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N5O3/c25-24(26,27)16-2-7-21-19(14-16)22(20(15-29-21)23(33)31-28)30-17-3-5-18(6-4-17)35-11-1-8-32-9-12-34-13-10-32/h2-7,14-15H,1,8-13,28H2,(H,29,30)(H,31,33)
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n/an/a 3.87E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126838
PNG
(CHEMBL3628350)
Show SMILES CCOC(=O)c1cnc2ccc(cc2c1Nc1ccc(OCCCN2CCOCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C26H28F3N3O4/c1-2-35-25(33)22-17-30-23-9-4-18(26(27,28)29)16-21(23)24(22)31-19-5-7-20(8-6-19)36-13-3-10-32-11-14-34-15-12-32/h4-9,16-17H,2-3,10-15H2,1H3,(H,30,31)
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n/an/a 3.88E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126181
PNG
(CHEMBL3628460)
Show SMILES COc1ccc2ncc(C(O)=O)c(Nc3ccc(NCCCN4CCOCC4)cc3)c2c1
Show InChI InChI=1S/C24H28N4O4/c1-31-19-7-8-22-20(15-19)23(21(16-26-22)24(29)30)27-18-5-3-17(4-6-18)25-9-2-10-28-11-13-32-14-12-28/h3-8,15-16,25H,2,9-14H2,1H3,(H,26,27)(H,29,30)
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n/an/a 3.89E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126792
PNG
(CHEMBL3628445)
Show SMILES COc1ccc2ncc(C(=O)NN)c(Nc3ccc(NCCCN4CCOCC4)cc3)c2c1
Show InChI InChI=1S/C24H30N6O3/c1-32-19-7-8-22-20(15-19)23(21(16-27-22)24(31)29-25)28-18-5-3-17(4-6-18)26-9-2-10-30-11-13-33-14-12-30/h3-8,15-16,26H,2,9-14,25H2,1H3,(H,27,28)(H,29,31)
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n/an/a 4.49E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126762
PNG
(CHEMBL3627728)
Show SMILES NNC(=O)c1cnc2ccc(cc2c1Nc1ccc(NCCCN2CCOCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C24H27F3N6O2/c25-24(26,27)16-2-7-21-19(14-16)22(20(15-30-21)23(34)32-28)31-18-5-3-17(4-6-18)29-8-1-9-33-10-12-35-13-11-33/h2-7,14-15,29H,1,8-13,28H2,(H,30,31)(H,32,34)
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n/an/a 4.73E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126793
PNG
(CHEMBL3628444)
Show SMILES NNC(=O)c1cnc2ccccc2c1Nc1ccc(NCCCN2CCOCC2)cc1
Show InChI InChI=1S/C23H28N6O2/c24-28-23(30)20-16-26-21-5-2-1-4-19(21)22(20)27-18-8-6-17(7-9-18)25-10-3-11-29-12-14-31-15-13-29/h1-2,4-9,16,25H,3,10-15,24H2,(H,26,27)(H,28,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126389
PNG
(CHEMBL3628455)
Show SMILES OC(=O)c1cnc2ccccc2c1Nc1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C23H25N3O4/c27-23(28)20-16-24-21-5-2-1-4-19(21)22(20)25-17-6-8-18(9-7-17)30-13-3-10-26-11-14-29-15-12-26/h1-2,4-9,16H,3,10-15H2,(H,24,25)(H,27,28)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50366824
PNG
(Avelox | MOXIFLOXACIN)
Show SMILES COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50126833
PNG
(CHEMBL3628355)
Show SMILES CCOC(=O)c1cnc2ccccc2c1Nc1ccc(OCCCN2CCN(CC)CC2)cc1
Show InChI InChI=1S/C27H34N4O3/c1-3-30-15-17-31(18-16-30)14-7-19-34-22-12-10-21(11-13-22)29-26-23-8-5-6-9-25(23)28-20-24(26)27(32)33-4-2/h5-6,8-13,20H,3-4,7,14-19H2,1-2H3,(H,28,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Birla Institute of Technology&Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incu...


Eur J Med Chem 103: 1-16 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.032
BindingDB Entry DOI: 10.7270/Q2KS6TBH
More data for this
Ligand-Target Pair