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Found 240 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase' AND taxid = 9913   
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 Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24616
PNG
(1-(6-(4-(Cyclopropylcarbamoyl)-1H-imidazol-1-yl)-4...)
Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-n1cnc(c1)C(=O)NC1CC1)-c1ccccn1
Show InChI InChI=1S/C22H22N8O2/c1-2-23-22(32)29-21-27-17-10-14(9-15(19(17)28-21)16-5-3-4-8-24-16)30-11-18(25-12-30)20(31)26-13-6-7-13/h3-5,8-13H,2,6-7H2,1H3,(H,26,31)(H3,23,27,28,29,32)
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7n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24617
PNG
(3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(1-methyl-2-...)
Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1ccn(C)c(=O)c1)-c1ncccc1F
Show InChI InChI=1S/C21H19FN6O2/c1-3-23-21(30)27-20-25-16-10-13(12-6-8-28(2)17(29)11-12)9-14(19(16)26-20)18-15(22)5-4-7-24-18/h4-11H,3H2,1-2H3,(H3,23,25,26,27,30)
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11n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA topoisomerase 4


(Staphylococcus aureus)
BDBM50393079
PNG
(CHEMBL2152855 | US9040542, 23)
Show SMILES CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)O
Show InChI InChI=1S/C21H25FN6O3/c1-4-23-20(29)28-19-26-13-8-12(11-9-24-18(25-10-11)21(2,3)30)16(22)15(17(13)27-19)14-6-5-7-31-14/h8-10,14,30H,4-7H2,1-3H3,(H3,23,26,27,28,29)/t14-/m1/s1
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US Patent
12n/an/an/an/an/an/an/an/a



VERTEX PHARMACEUTICALS INCORPORATED

US Patent


Assay Description
The conversion of ATP to ADP by S. aureus TopoIV enzyme is coupled to the conversion of NADH to NAD+, and the progress of the reaction is measured by...


US Patent US9040542 (2015)


BindingDB Entry DOI: 10.7270/Q2F18XHX
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24615
PNG
(Benzimidazole urea analogue, 19 | N-cyclopropyl-1-...)
Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-n1cnc(c1)C(=O)NC1CC1)-n1cccn1
Show InChI InChI=1S/C20H21N9O2/c1-2-21-20(31)27-19-25-14-8-13(9-16(17(14)26-19)29-7-3-6-23-29)28-10-15(22-11-28)18(30)24-12-4-5-12/h3,6-12H,2,4-5H2,1H3,(H,24,30)(H3,21,25,26,27,31)
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12n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24609
PNG
(3-ethyl-1-[7-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-1,...)
Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-c1ccccn1
Show InChI InChI=1S/C20H18N6O/c1-2-22-20(27)26-19-24-17-11-14(13-6-5-8-21-12-13)10-15(18(17)25-19)16-7-3-4-9-23-16/h3-12H,2H2,1H3,(H3,22,24,25,26,27)
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14n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24611
PNG
(3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(pyridin-3-y...)
Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-c1ncccc1F
Show InChI InChI=1S/C20H17FN6O/c1-2-23-20(28)27-19-25-16-10-13(12-5-3-7-22-11-12)9-14(18(16)26-19)17-15(21)6-4-8-24-17/h3-11H,2H2,1H3,(H3,23,25,26,27,28)
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23n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24606
PNG
(Benzimidazole urea analogue, 10 | methyl 2-[(ethyl...)
Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)C(=O)OC
Show InChI InChI=1S/C17H17N5O3/c1-3-19-17(24)22-16-20-13-8-11(10-5-4-6-18-9-10)7-12(14(13)21-16)15(23)25-2/h4-9H,3H2,1-2H3,(H3,19,20,21,22,24)
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35n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24608
PNG
(3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyridin-3-yl)-1H...)
Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-n1cccn1
Show InChI InChI=1S/C18H17N7O/c1-2-20-18(26)24-17-22-14-9-13(12-5-3-6-19-11-12)10-15(16(14)23-17)25-8-4-7-21-25/h3-11H,2H2,1H3,(H3,20,22,23,24,26)
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46n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24614
PNG
(3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyrimidin-5-yl)-...)
Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cncnc1)-n1cccn1
Show InChI InChI=1S/C17H16N8O/c1-2-20-17(26)24-16-22-13-6-11(12-8-18-10-19-9-12)7-14(15(13)23-16)25-5-3-4-21-25/h3-10H,2H2,1H3,(H3,20,22,23,24,26)
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58n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24601
PNG
(Benzimidazole urea analogue, 5 | N-cyclopropyl-1-{...)
Show SMILES CCNC(=O)Nc1nc2cc(c(F)cc2[nH]1)-n1cnc(c1)C(=O)NC1CC1
Show InChI InChI=1S/C17H18FN7O2/c1-2-19-17(27)24-16-22-11-5-10(18)14(6-12(11)23-16)25-7-13(20-8-25)15(26)21-9-3-4-9/h5-9H,2-4H2,1H3,(H,21,26)(H3,19,22,23,24,27)
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78n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM282
PNG
((3R,4S,5R,6R)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydrox...)
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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110n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24607
PNG
(2-[(ethylcarbamoyl)amino]-N-methyl-5-(pyridin-3-yl...)
Show SMILES CCNC(=O)Nc1nc2cc(cc(C(=O)NC)c2[nH]1)-c1cccnc1
Show InChI InChI=1S/C17H18N6O2/c1-3-20-17(25)23-16-21-13-8-11(10-5-4-6-19-9-10)7-12(14(13)22-16)15(24)18-2/h4-9H,3H2,1-2H3,(H,18,24)(H3,20,21,22,23,25)
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150n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24612
PNG
(1-[7-(benzyloxy)-5-(pyridin-3-yl)-1H-1,3-benzodiaz...)
Show SMILES CCNC(=O)Nc1nc2cc(cc(OCc3ccccc3)c2[nH]1)-c1cccnc1
Show InChI InChI=1S/C22H21N5O2/c1-2-24-22(28)27-21-25-18-11-17(16-9-6-10-23-13-16)12-19(20(18)26-21)29-14-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H3,24,25,26,27,28)
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390n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24613
PNG
(3-ethyl-1-[6-methoxy-5-(2-methoxypyrimidin-5-yl)-1...)
Show SMILES CCNC(=O)Nc1nc2cc(c(OC)cc2[nH]1)-c1cnc(OC)nc1
Show InChI InChI=1S/C16H18N6O3/c1-4-17-15(23)22-14-20-11-5-10(13(24-2)6-12(11)21-14)9-7-18-16(25-3)19-8-9/h5-8H,4H2,1-3H3,(H3,17,20,21,22,23)
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680n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24602
PNG
(3-ethyl-1-[6-fluoro-5-(pyridin-3-yl)-1H-1,3-benzod...)
Show SMILES CCNC(=O)Nc1nc2cc(c(F)cc2[nH]1)-c1cccnc1
Show InChI InChI=1S/C15H14FN5O/c1-2-18-15(22)21-14-19-12-6-10(9-4-3-5-17-8-9)11(16)7-13(12)20-14/h3-8H,2H2,1H3,(H3,18,19,20,21,22)
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680n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24600
PNG
(3-ethyl-1-[5-(pyrimidin-5-yl)-1H-1,3-benzodiazol-2...)
Show SMILES CCNC(=O)Nc1nc2cc(ccc2[nH]1)-c1cncnc1
Show InChI InChI=1S/C14H14N6O/c1-2-17-14(21)20-13-18-11-4-3-9(5-12(11)19-13)10-6-15-8-16-7-10/h3-8H,2H2,1H3,(H3,17,18,19,20,21)
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1.10E+3n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24610
PNG
(1-[5,7-bis(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]-...)
Show SMILES CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-c1cccnc1
Show InChI InChI=1S/C20H18N6O/c1-2-23-20(27)26-19-24-17-10-15(13-5-3-7-21-11-13)9-16(18(17)25-19)14-6-4-8-22-12-14/h3-12H,2H2,1H3,(H3,23,24,25,26,27)
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1.30E+3n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24603
PNG
(3-ethyl-1-[6-methyl-5-(pyridin-3-yl)-1H-1,3-benzod...)
Show SMILES CCNC(=O)Nc1nc2cc(c(C)cc2[nH]1)-c1cccnc1
Show InChI InChI=1S/C16H17N5O/c1-3-18-16(22)21-15-19-13-7-10(2)12(8-14(13)20-15)11-5-4-6-17-9-11/h4-9H,3H2,1-2H3,(H3,18,19,20,21,22)
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1.40E+3n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24598
PNG
(3-ethyl-1-[5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-y...)
Show SMILES CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1cccnc1
Show InChI InChI=1S/C15H15N5O/c1-2-17-15(21)20-14-18-12-6-5-10(8-13(12)19-14)11-4-3-7-16-9-11/h3-9H,2H2,1H3,(H3,17,18,19,20,21)
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2.30E+3n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24605
PNG
(3-ethyl-1-[6-(piperidin-1-yl)-5-(pyridin-3-yl)-1H-...)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(cc2[nH]1)N1CCCCC1
Show InChI InChI=1S/C20H24N6O/c1-2-22-20(27)25-19-23-16-11-15(14-7-6-8-21-13-14)18(12-17(16)24-19)26-9-4-3-5-10-26/h6-8,11-13H,2-5,9-10H2,1H3,(H3,22,23,24,25,27)
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3.30E+3n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24604
PNG
(3-ethyl-1-[6-methoxy-5-(pyridin-3-yl)-1H-1,3-benzo...)
Show SMILES CCNC(=O)Nc1nc2cc(c(OC)cc2[nH]1)-c1cccnc1
Show InChI InChI=1S/C16H17N5O2/c1-3-18-16(22)21-15-19-12-7-11(10-5-4-6-17-9-10)14(23-2)8-13(12)20-15/h4-9H,3H2,1-2H3,(H3,18,19,20,21,22)
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3.50E+3n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24599
PNG
(3-ethyl-1-(5-phenyl-1H-1,3-benzodiazol-2-yl)urea |...)
Show SMILES CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H16N4O/c1-2-17-16(21)20-15-18-13-9-8-12(10-14(13)19-15)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,17,18,19,20,21)
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9.50E+3n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Escherichia coli (strain K12))
BDBM24597
PNG
(Benzimidazole carbamate analogue, 1 | ethyl N-{5-[...)
Show SMILES CCOC(=O)Nc1nc2ccc(C=Cc3ccc(O)cc3)cc2[nH]1
Show InChI InChI=1S/C18H17N3O3/c1-2-24-18(23)21-17-19-15-10-7-13(11-16(15)20-17)4-3-12-5-8-14(22)9-6-12/h3-11,22H,2H2,1H3,(H2,19,20,21,23)
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>6.00E+4n/an/an/an/an/an/an/an/a



Vertex



Assay Description
Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min ...


J Med Chem 51: 5243-63 (2008)


Article DOI: 10.1021/jm800318d
BindingDB Entry DOI: 10.7270/Q2J67F7T
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50142519
PNG
(CHEMBL47027 | N-[2-(3,4,5-triihydroxy-benzoylamino...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccccc1NC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C20H16N2O8/c23-13-5-9(6-14(24)17(13)27)19(29)21-11-3-1-2-4-12(11)22-20(30)10-7-15(25)18(28)16(26)8-10/h1-8,23-28H,(H,21,29)(H,22,30)
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7.41E+4n/an/an/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of relaxation activities of DNA topoisomerase II with respect to pBR322 DNA


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221011
PNG
(CHEMBL76485)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CC[C@H](C1)C(C)(C)N
Show InChI InChI=1S/C20H25N3O4/c1-11-10-27-18-15(22-7-6-12(8-22)20(2,3)21)5-4-13-16(18)23(11)9-14(17(13)24)19(25)26/h4-5,9,11-12H,6-8,10,21H2,1-3H3,(H,25,26)/t11-,12+/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals, 8700Mason-Montgomery Rd, 45040, Mason, OH, USA. gray.jl.2@pg.com

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50366826
PNG
(DR-3355 | Floxacin | Iquix | LEVOFLOXACIN | Levaqu...)
Show SMILES C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals, 8700Mason-Montgomery Rd, 45040, Mason, OH, USA. gray.jl.2@pg.com

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221010
PNG
(CHEMBL79077)
Show SMILES C[C@H](N)[C@@H]1CCN(C1)c1ccc2c3c1OC[C@H](C)n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C19H23N3O4/c1-10-9-26-18-15(21-6-5-12(7-21)11(2)20)4-3-13-16(18)22(10)8-14(17(13)23)19(24)25/h3-4,8,10-12H,5-7,9,20H2,1-2H3,(H,24,25)/t10-,11-,12+/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals, 8700Mason-Montgomery Rd, 45040, Mason, OH, USA. gray.jl.2@pg.com

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50142519
PNG
(CHEMBL47027 | N-[2-(3,4,5-triihydroxy-benzoylamino...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccccc1NC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C20H16N2O8/c23-13-5-9(6-14(24)17(13)27)19(29)21-11-3-1-2-4-12(11)22-20(30)10-7-15(25)18(28)16(26)8-10/h1-8,23-28H,(H,21,29)(H,22,30)
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n/an/a 9n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase II by detecting the conversion of supercoiled pBR322 DNA to its relaxed for...


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50366826
PNG
(DR-3355 | Floxacin | Iquix | LEVOFLOXACIN | Levaqu...)
Show SMILES C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals, 8700Mason-Montgomery Rd, 45040, Mason, OH, USA. gray.jl.2@pg.com

Curated by ChEMBL


Assay Description
Inhibitory activity against quinolone resistant gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221009
PNG
(CHEMBL309434)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CCN(C)CC1
Show InChI InChI=1S/C18H21N3O4/c1-11-10-25-17-14(20-7-5-19(2)6-8-20)4-3-12-15(17)21(11)9-13(16(12)22)18(23)24/h3-4,9,11H,5-8,10H2,1-2H3,(H,23,24)/t11-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals, 8700Mason-Montgomery Rd, 45040, Mason, OH, USA. gray.jl.2@pg.com

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221010
PNG
(CHEMBL79077)
Show SMILES C[C@H](N)[C@@H]1CCN(C1)c1ccc2c3c1OC[C@H](C)n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C19H23N3O4/c1-10-9-26-18-15(21-6-5-12(7-21)11(2)20)4-3-13-16(18)22(10)8-14(17(13)23)19(24)25/h3-4,8,10-12H,5-7,9,20H2,1-2H3,(H,24,25)/t10-,11-,12+/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals, 8700Mason-Montgomery Rd, 45040, Mason, OH, USA. gray.jl.2@pg.com

Curated by ChEMBL


Assay Description
Inhibitory activity against mammalian DNA topoisomerase II


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221010
PNG
(CHEMBL79077)
Show SMILES C[C@H](N)[C@@H]1CCN(C1)c1ccc2c3c1OC[C@H](C)n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C19H23N3O4/c1-10-9-26-18-15(21-6-5-12(7-21)11(2)20)4-3-13-16(18)22(10)8-14(17(13)23)19(24)25/h3-4,8,10-12H,5-7,9,20H2,1-2H3,(H,24,25)/t10-,11-,12+/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals, 8700Mason-Montgomery Rd, 45040, Mason, OH, USA. gray.jl.2@pg.com

Curated by ChEMBL


Assay Description
Inhibitory activity against quinolone resistant gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221008
PNG
(CHEMBL80587)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CCC[C@H](N)C1
Show InChI InChI=1S/C18H21N3O4/c1-10-9-25-17-14(20-6-2-3-11(19)7-20)5-4-12-15(17)21(10)8-13(16(12)22)18(23)24/h4-5,8,10-11H,2-3,6-7,9,19H2,1H3,(H,23,24)/t10-,11-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals, 8700Mason-Montgomery Rd, 45040, Mason, OH, USA. gray.jl.2@pg.com

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221011
PNG
(CHEMBL76485)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CC[C@H](C1)C(C)(C)N
Show InChI InChI=1S/C20H25N3O4/c1-11-10-27-18-15(22-7-6-12(8-22)20(2,3)21)5-4-13-16(18)23(11)9-14(17(13)24)19(25)26/h4-5,9,11-12H,6-8,10,21H2,1-3H3,(H,25,26)/t11-,12+/m0/s1
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n/an/a>102n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals, 8700Mason-Montgomery Rd, 45040, Mason, OH, USA. gray.jl.2@pg.com

Curated by ChEMBL


Assay Description
Inhibitory activity against quinolone resistant gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50142517
PNG
(CHEMBL47885 | N-[4-(3,4,5-triihydroxy-benzoylamino...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1
Show InChI InChI=1S/C20H16N2O8/c23-13-5-9(6-14(24)17(13)27)19(29)21-11-1-2-12(4-3-11)22-20(30)10-7-15(25)18(28)16(26)8-10/h1-8,23-28H,(H,21,29)(H,22,30)
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n/an/a 150n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase II by detecting the conversion of supercoiled pBR322 DNA to its relaxed for...


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221011
PNG
(CHEMBL76485)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CC[C@H](C1)C(C)(C)N
Show InChI InChI=1S/C20H25N3O4/c1-11-10-27-18-15(22-7-6-12(8-22)20(2,3)21)5-4-13-16(18)23(11)9-14(17(13)24)19(25)26/h4-5,9,11-12H,6-8,10,21H2,1-3H3,(H,25,26)/t11-,12+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals, 8700Mason-Montgomery Rd, 45040, Mason, OH, USA. gray.jl.2@pg.com

Curated by ChEMBL


Assay Description
Inhibitory activity against mammalian DNA topoisomerase II


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223588
PNG
(CHEMBL330372 | DNDI1417460)
Show SMILES C(Oc1ccc(cc1)-c1cc([nH]n1)C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C21H23N3O/c1-2-4-16(5-3-1)15-25-19-8-6-17(7-9-19)20-14-21(24-23-20)18-10-12-22-13-11-18/h1-9,14,18,22H,10-13,15H2,(H,23,24)
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n/an/a 200n/an/an/an/an/an/a



Chemistry Research Laboratories, Dainippon Pharmaceutical Co., Ltd, 33-94, Enoki, Suita, Osaka 564-0053, Japan. akihiko-tanitame@dainippon-pharm.co.jp

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 2857-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.044
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50142507
PNG
(CHEMBL47526 | N-[3-(3,4,5-triihydroxy-benzoylamino...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1cccc(NC(=O)c2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C20H16N2O8/c23-13-4-9(5-14(24)17(13)27)19(29)21-11-2-1-3-12(8-11)22-20(30)10-6-15(25)18(28)16(26)7-10/h1-8,23-28H,(H,21,29)(H,22,30)
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n/an/a 220n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase II by detecting the conversion of supercoiled pBR322 DNA to its relaxed for...


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221009
PNG
(CHEMBL309434)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CCN(C)CC1
Show InChI InChI=1S/C18H21N3O4/c1-11-10-25-17-14(20-7-5-19(2)6-8-20)4-3-12-15(17)21(11)9-13(16(12)22)18(23)24/h3-4,9,11H,5-8,10H2,1-2H3,(H,23,24)/t11-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals, 8700Mason-Montgomery Rd, 45040, Mason, OH, USA. gray.jl.2@pg.com

Curated by ChEMBL


Assay Description
Inhibitory activity against mammalian DNA topoisomerase II


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
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>400n/an/an/an/an/an/a



Chemistry Research Laboratories, Dainippon Pharmaceutical Co., Ltd, 33-94, Enoki, Suita, Osaka 564-0053, Japan. akihiko-tanitame@dainippon-pharm.co.jp

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 2857-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.044
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223597
PNG
(CHEMBL95777)
Show SMILES Clc1cccc(c1)-n1nc(cc1\C=C\c1c[nH]c2ccc(Cl)cc12)C1CCNCC1
Show InChI InChI=1S/C24H22Cl2N4/c25-18-2-1-3-20(12-18)30-21(14-24(29-30)16-8-10-27-11-9-16)6-4-17-15-28-23-7-5-19(26)13-22(17)23/h1-7,12-16,27-28H,8-11H2/b6-4+
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n/an/a>400n/an/an/an/an/an/a



Chemistry Research Laboratories, Dainippon Pharmaceutical Co., Ltd, 33-94, Enoki, Suita, Osaka 564-0053, Japan. akihiko-tanitame@dainippon-pharm.co.jp

Curated by ChEMBL


Assay Description
Human DNA topoisomerase II relaxation activity was determined


Bioorg Med Chem Lett 14: 2857-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.044
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223603
PNG
(CHEMBL95741)
Show SMILES COC(=O)C1CCCC(C1)NCc1n[nH]c2cccc(OCc3ccc(cc3)C(C)(C)C)c12
Show InChI InChI=1S/C27H35N3O3/c1-27(2,3)20-13-11-18(12-14-20)17-33-24-10-6-9-22-25(24)23(30-29-22)16-28-21-8-5-7-19(15-21)26(31)32-4/h6,9-14,19,21,28H,5,7-8,15-17H2,1-4H3,(H,29,30)
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n/an/a>400n/an/an/an/an/an/a



Chemistry Research Laboratories, Dainippon Pharmaceutical Co., Ltd, 33-94, Enoki, Suita, Osaka 564-0053, Japan. akihiko-tanitame@dainippon-pharm.co.jp

Curated by ChEMBL


Assay Description
Human DNA topoisomerase II relaxation activity was determined


Bioorg Med Chem Lett 14: 2857-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.044
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223579
PNG
(CHEMBL442194)
Show SMILES Cc1cc(=O)oc2cc(CCc3n[nH]c4cccc(OCc5ccc(cc5)C(C)(C)C)c34)ccc12
Show InChI InChI=1S/C30H30N2O3/c1-19-16-28(33)35-27-17-20(10-14-23(19)27)11-15-25-29-24(31-32-25)6-5-7-26(29)34-18-21-8-12-22(13-9-21)30(2,3)4/h5-10,12-14,16-17H,11,15,18H2,1-4H3,(H,31,32)
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n/an/a>400n/an/an/an/an/an/a



Chemistry Research Laboratories, Dainippon Pharmaceutical Co., Ltd, 33-94, Enoki, Suita, Osaka 564-0053, Japan. akihiko-tanitame@dainippon-pharm.co.jp

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 2857-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.044
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223617
PNG
(CHEMBL95778)
Show SMILES Cn1cc(\C=C\c2cc(nn2-c2cccc(Cl)c2)C2CCNCC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C25H24Cl2N4/c1-30-16-18(23-14-20(27)6-8-25(23)30)5-7-22-15-24(17-9-11-28-12-10-17)29-31(22)21-4-2-3-19(26)13-21/h2-8,13-17,28H,9-12H2,1H3/b7-5+
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n/an/a>400n/an/an/an/an/an/a



Chemistry Research Laboratories, Dainippon Pharmaceutical Co., Ltd, 33-94, Enoki, Suita, Osaka 564-0053, Japan. akihiko-tanitame@dainippon-pharm.co.jp

Curated by ChEMBL


Assay Description
Human DNA topoisomerase II relaxation activity was determined


Bioorg Med Chem Lett 14: 2857-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.044
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223589
PNG
(CHEMBL97620)
Show SMILES COC(=O)C1CCCC(C1)NCc1n[nH]c2cccc(OCc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C23H25Cl2N3O3/c1-30-23(29)15-4-2-5-16(11-15)26-12-20-22-19(27-28-20)6-3-7-21(22)31-13-14-8-9-17(24)18(25)10-14/h3,6-10,15-16,26H,2,4-5,11-13H2,1H3,(H,27,28)
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n/an/a>400n/an/an/an/an/an/a



Chemistry Research Laboratories, Dainippon Pharmaceutical Co., Ltd, 33-94, Enoki, Suita, Osaka 564-0053, Japan. akihiko-tanitame@dainippon-pharm.co.jp

Curated by ChEMBL


Assay Description
Human DNA topoisomerase II relaxation activity was determined


Bioorg Med Chem Lett 14: 2857-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.044
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221008
PNG
(CHEMBL80587)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CCC[C@H](N)C1
Show InChI InChI=1S/C18H21N3O4/c1-10-9-25-17-14(20-6-2-3-11(19)7-20)5-4-12-15(17)21(10)8-13(16(12)22)18(23)24/h4-5,8,10-11H,2-3,6-7,9,19H2,1H3,(H,23,24)/t10-,11-/m0/s1
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n/an/a>500n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals, 8700Mason-Montgomery Rd, 45040, Mason, OH, USA. gray.jl.2@pg.com

Curated by ChEMBL


Assay Description
Inhibitory activity against mammalian DNA topoisomerase II


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221009
PNG
(CHEMBL309434)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CCN(C)CC1
Show InChI InChI=1S/C18H21N3O4/c1-11-10-25-17-14(20-7-5-19(2)6-8-20)4-3-12-15(17)21(11)9-13(16(12)22)18(23)24/h3-4,9,11H,5-8,10H2,1-2H3,(H,23,24)/t11-/m0/s1
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n/an/a>500n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals, 8700Mason-Montgomery Rd, 45040, Mason, OH, USA. gray.jl.2@pg.com

Curated by ChEMBL


Assay Description
Inhibitory activity against quinolone resistant gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221008
PNG
(CHEMBL80587)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CCC[C@H](N)C1
Show InChI InChI=1S/C18H21N3O4/c1-10-9-25-17-14(20-6-2-3-11(19)7-20)5-4-12-15(17)21(10)8-13(16(12)22)18(23)24/h4-5,8,10-11H,2-3,6-7,9,19H2,1H3,(H,23,24)/t10-,11-/m0/s1
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n/an/a>500n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals, 8700Mason-Montgomery Rd, 45040, Mason, OH, USA. gray.jl.2@pg.com

Curated by ChEMBL


Assay Description
Inhibitory activity against quinolone resistant gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50366826
PNG
(DR-3355 | Floxacin | Iquix | LEVOFLOXACIN | Levaqu...)
Show SMILES C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1
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n/an/a>600n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals, 8700Mason-Montgomery Rd, 45040, Mason, OH, USA. gray.jl.2@pg.com

Curated by ChEMBL


Assay Description
Inhibitory activity against mammalian DNA topoisomerase II


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA Topoisomerase IV


(Bacillus subtilis)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 1.70E+3n/an/an/an/a7.530



Microbiotix



Assay Description
The 50% inhibitory concentration (IC50) is defined as the concentration of compound that inhibits the decatenation of kinetoplast DNA by 50%.


Antimicrob Agents Chemother 51: 119-27 (2007)


Article DOI: 10.1128/AAC.01311-05
BindingDB Entry DOI: 10.7270/Q2988599
More data for this
Ligand-Target Pair
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