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Compile Data Set for Download or QSAR

Found 204 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase II' AND taxid = 7227   
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 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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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 II


(Drosophila melanogaster)
BDBM50081427
PNG
((4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-...)
Show SMILES COC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)C1=CC=C[C@H]2O
Show InChI InChI=1S/C16H14O6/c1-8-6-10(17)13-11(7-8)22-16(15(20)21-2)9(14(13)19)4-3-5-12(16)18/h3-7,12,17-18H,1-2H3/t12-,16+/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase II (Topo II) by using decatenation assay


Bioorg Med Chem Lett 9: 2653-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00440-0
BindingDB Entry DOI: 10.7270/Q2X34XZ8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50218559
PNG
(CHEMBL64993)
Show SMILES CC1OC(Oc2c(O)c3C(=O)c4ccccc4C(=O)c3c3cccnc23)C(F)C(O)C1O
Show InChI InChI=1S/C23H18FNO7/c1-9-17(26)21(30)15(24)23(31-9)32-22-16-12(7-4-8-25-16)13-14(20(22)29)19(28)11-6-3-2-5-10(11)18(13)27/h2-9,15,17,21,23,26,29-30H,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Institute of Bioorganic Chemistry, Kawasaki, Japan.

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against topoisomerase II


Bioorg Med Chem Lett 10: 203-7 (2000)


Article DOI: 10.1016/s0960-894x(99)00655-1
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50140290
PNG
(4-(3-(3,5-dioxopiperazin-1-yl)butan-2-yl)piperazin...)
Show SMILES CC(C(C)N1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
Show InChI InChI=1S/C12H18N4O4/c1-7(15-3-9(17)13-10(18)4-15)8(2)16-5-11(19)14-12(20)6-16/h7-8H,3-6H2,1-2H3,(H,13,17,18)(H,14,19,20)
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n/an/a 1.39E+4n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Toho University, 2-2-1 Miyama, Funabashi, Chiba 274-8510, Japan. zhongze_ma@hms.harvard.edu

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 1193-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.048
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Drosophila melanogaster)
BDBM50081428
PNG
((4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-...)
Show SMILES Cc1cc(O)c2C(=O)C3=CC=C[C@@H](O)[C@]3(Oc2c1)C(=O)NCCO
Show InChI InChI=1S/C17H17NO6/c1-9-7-11(20)14-12(8-9)24-17(16(23)18-5-6-19)10(15(14)22)3-2-4-13(17)21/h2-4,7-8,13,19-21H,5-6H2,1H3,(H,18,23)/t13-,17+/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase II (Topo II) by using decatenation assay


Bioorg Med Chem Lett 9: 2653-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00440-0
BindingDB Entry DOI: 10.7270/Q2X34XZ8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223902
PNG
(CHEMBL18456)
Show SMILES Oc1nc(nc2ccccc12)C(=C)c1cnc2ccccc2c1
Show InChI InChI=1S/C19H13N3O/c1-12(14-10-13-6-2-4-8-16(13)20-11-14)18-21-17-9-5-3-7-15(17)19(23)22-18/h2-11H,1H2,(H,21,22,23)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Toho University, 2-2-1 Miyama, Funabashi, Chiba 274-8510, Japan. zhongze_ma@hms.harvard.edu

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 1193-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.048
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223903
PNG
(CHEMBL279101)
Show SMILES Oc1nc(nc2ccccc12)-c1cnc2ccccc2c1
Show InChI InChI=1S/C17H11N3O/c21-17-13-6-2-4-8-15(13)19-16(20-17)12-9-11-5-1-3-7-14(11)18-10-12/h1-10H,(H,19,20,21)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Toho University, 2-2-1 Miyama, Funabashi, Chiba 274-8510, Japan. zhongze_ma@hms.harvard.edu

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 1193-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.048
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223904
PNG
(CHEMBL18395)
Show SMILES OC1c2cc3ccccc3nc2-c2nc3ccccc3c(=O)n12
Show InChI InChI=1S/C18H11N3O2/c22-17-11-6-2-4-8-14(11)20-16-15-12(18(23)21(16)17)9-10-5-1-3-7-13(10)19-15/h1-9,18,23H
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n/an/a 2.50E+4n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Toho University, 2-2-1 Miyama, Funabashi, Chiba 274-8510, Japan. zhongze_ma@hms.harvard.edu

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 1193-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.048
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223905
PNG
(CHEMBL18544)
Show SMILES COC1c2cc3ccccc3nc2-c2nc3ccccc3c(=O)n12
Show InChI InChI=1S/C19H13N3O2/c1-24-19-13-10-11-6-2-4-8-14(11)20-16(13)17-21-15-9-5-3-7-12(15)18(23)22(17)19/h2-10,19H,1H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Toho University, 2-2-1 Miyama, Funabashi, Chiba 274-8510, Japan. zhongze_ma@hms.harvard.edu

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 1193-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.048
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223908
PNG
(CHEMBL19143)
Show SMILES Oc1nc(nc2ccccc12)C(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C18H11N3O2/c22-16(12-9-11-5-1-3-7-14(11)19-10-12)17-20-15-8-4-2-6-13(15)18(23)21-17/h1-10H,(H,20,21,23)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Toho University, 2-2-1 Miyama, Funabashi, Chiba 274-8510, Japan. zhongze_ma@hms.harvard.edu

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 1193-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.048
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223907
PNG
(CHEMBL19274)
Show SMILES CC(=O)NC1c2cc3ccccc3nc2-c2nc3ccccc3c(=O)n12
Show InChI InChI=1S/C20H14N4O2/c1-11(25)21-18-14-10-12-6-2-4-8-15(12)22-17(14)19-23-16-9-5-3-7-13(16)20(26)24(18)19/h2-10,18H,1H3,(H,21,25)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Toho University, 2-2-1 Miyama, Funabashi, Chiba 274-8510, Japan. zhongze_ma@hms.harvard.edu

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 1193-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.048
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223906
PNG
(LUOTONIN A)
Show SMILES O=c1n2Cc3cc4ccccc4nc3-c2nc2ccccc12
Show InChI InChI=1S/C18H11N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(10-21(17)18)9-11-5-1-3-7-14(11)19-16/h1-9H,10H2
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n/an/a 2.85E+4n/an/an/an/an/an/a



Faculty of Pharmaceutical Sciences, Toho University, 2-2-1 Miyama, Funabashi, Chiba 274-8510, Japan. zhongze_ma@hms.harvard.edu

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 1193-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.048
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Drosophila melanogaster)
BDBM50081429
PNG
((4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-...)
Show SMILES Cc1cc(O)c2C(=O)C3=CC=C[C@@H](O)[C@]3(Oc2c1)C(N)=O
Show InChI InChI=1S/C15H13NO5/c1-7-5-9(17)12-10(6-7)21-15(14(16)20)8(13(12)19)3-2-4-11(15)18/h2-6,11,17-18H,1H3,(H2,16,20)/t11-,15+/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase II (Topo II) by using decatenation assay


Bioorg Med Chem Lett 9: 2653-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00440-0
BindingDB Entry DOI: 10.7270/Q2X34XZ8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Drosophila melanogaster)
BDBM50110690
PNG
(CHEMBL17377 | FOSTRIECIN | Phosphoric acid mono-{3...)
Show SMILES C[C@@](O)(\C=C\[C@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)\C=C/C=C\C=C\CO)OP(O)(O)=O
Show InChI InChI=1S/C19H27O9P/c1-19(23,12-11-16-9-7-10-18(22)27-16)17(28-29(24,25)26)14-15(21)8-5-3-2-4-6-13-20/h2-8,10-12,15-17,20-21,23H,9,13-14H2,1H3,(H2,24,25,26)/b3-2-,6-4+,8-5-,12-11+/t15-,16+,17+,19+/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase IIin vitro through a novel, non-DNA-strandcleaving mechanism


Bioorg Med Chem Lett 10: 1687-90 (2000)


Article DOI: 10.1016/s0960-894x(00)00323-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z8N
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Drosophila melanogaster)
BDBM50081426
PNG
((4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-...)
Show SMILES CNC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)C1=CC=C[C@H]2O
Show InChI InChI=1S/C16H15NO5/c1-8-6-10(18)13-11(7-8)22-16(15(21)17-2)9(14(13)20)4-3-5-12(16)19/h3-7,12,18-19H,1-2H3,(H,17,21)/t12-,16+/m1/s1
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n/an/a 1.32E+5n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase II (Topo II) by using decatenation assay


Bioorg Med Chem Lett 9: 2653-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00440-0
BindingDB Entry DOI: 10.7270/Q2X34XZ8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Drosophila melanogaster)
BDBM50081431
PNG
(7,16-dihydroxy-5,14-dimethyl-(1S,13S,16R)-2-oxa-14...)
Show SMILES CN1C2CC=C3C(=O)c4c(O)cc(C)cc4O[C@@]3([C@@H]2O)C1=O
Show InChI InChI=1S/C16H15NO5/c1-7-5-10(18)12-11(6-7)22-16-8(13(12)19)3-4-9(14(16)20)17(2)15(16)21/h3,5-6,9,14,18,20H,4H2,1-2H3/t9?,14-,16+/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase II (Topo II) by using decatenation assay


Bioorg Med Chem Lett 9: 2653-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00440-0
BindingDB Entry DOI: 10.7270/Q2X34XZ8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
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/an/an/a 30n/an/an/an/a


TBA

Assay Description
Inhibitory activity against HeLa cell Topoisomerase II


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213794
PNG
(CHEMBL7690)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1cccc(O)c1O)c2=O)C1CC1
Show InChI InChI=1S/C26H22F2N2O3/c1-13-8-16(9-14(2)29-13)22-20(27)11-19-24(23(22)28)30(18-6-7-18)12-17(25(19)32)10-15-4-3-5-21(31)26(15)33/h3-5,8-9,11-12,18,31,33H,6-7,10H2,1-2H3
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n/an/an/an/a 360n/an/an/an/a


TBA

Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 (KDR)


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213296
PNG
(CHEMBL267017)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1cccc3ccccc13)c2=O)C1CC1
Show InChI InChI=1S/C30H24F2N2O/c1-17-12-21(13-18(2)33-17)27-26(31)15-25-29(28(27)32)34(23-10-11-23)16-22(30(25)35)14-20-8-5-7-19-6-3-4-9-24(19)20/h3-9,12-13,15-16,23H,10-11,14H2,1-2H3
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n/an/an/an/a>2.10E+5n/an/an/an/a


TBA

Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 (KDR)


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213808
PNG
(CHEMBL7689)
Show SMILES CN(C)c1ccc(Cc2cn(C3CC3)c3c(F)c(c(F)cc3c2=O)-c2cc(C)nc(C)c2)cc1
Show InChI InChI=1S/C28H27F2N3O/c1-16-11-19(12-17(2)31-16)25-24(29)14-23-27(26(25)30)33(22-9-10-22)15-20(28(23)34)13-18-5-7-21(8-6-18)32(3)4/h5-8,11-12,14-15,22H,9-10,13H2,1-4H3
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n/an/an/an/a>2.10E+5n/an/an/an/a


TBA

Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 (KDR)


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50403823
PNG
(CHEMBL2029060)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
Show InChI InChI=1S/C35H38N4O16/c40-7-11(8-41)37-39-32(51)22-20-14-3-1-12(44)5-16(14)36-24(20)25-21(23(22)33(39)52)15-4-2-13(45)6-17(15)38(25)34-29(49)28(48)31(19(10-43)53-34)55-35-30(50)27(47)26(46)18(9-42)54-35/h1-6,11,18-19,26-31,34-37,40-50H,7-10H2/t18-,19-,26-,27+,28-,29-,30-,31-,34-,35-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on topoisomerase-2 mediated DNA cleavage using super coiled pBR322 plasmid DNA


Bioorg Med Chem Lett 10: 419-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00004-4
BindingDB Entry DOI: 10.7270/Q2F76BSS
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50086571
PNG
(CHEMBL135491 | NB-506 Analogue)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
Show InChI InChI=1S/C28H26N4O10/c33-7-10(8-34)30-32-26(40)20-18-13-3-1-11(36)5-15(13)29-22(18)23-19(21(20)27(32)41)14-4-2-12(37)6-16(14)31(23)28-25(39)24(38)17(9-35)42-28/h1-6,10,17,24-25,28-30,33-39H,7-9H2/t17-,24+,25-,28-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on topoisomerase-2 mediated DNA cleavage using super coiled pBR322 plasmid DNA


Bioorg Med Chem Lett 10: 419-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00004-4
BindingDB Entry DOI: 10.7270/Q2F76BSS
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50086555
PNG
(CHEMBL405405 | NB-506 Analogue)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3C[C@@H](O)[C@H](O)[C@@H](CO)O3)c1c1[nH]c3cc(O)ccc3c21
Show InChI InChI=1S/C29H28N4O10/c34-8-11(9-35)31-33-28(41)23-21-14-3-1-12(37)5-16(14)30-25(21)26-22(24(23)29(33)42)15-4-2-13(38)6-17(15)32(26)20-7-18(39)27(40)19(10-36)43-20/h1-6,11,18-20,27,30-31,34-40H,7-10H2/t18-,19-,20-,27+/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on topoisomerase-2 mediated DNA cleavage using super coiled pBR322 plasmid DNA


Bioorg Med Chem Lett 10: 419-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00004-4
BindingDB Entry DOI: 10.7270/Q2F76BSS
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50086559
PNG
(CHEMBL135970 | NB-506 Analogue)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21
Show InChI InChI=1S/C28H26N4O10/c33-7-10(8-34)30-32-26(40)20-18-13-3-1-11(36)5-15(13)29-22(18)23-19(21(20)27(32)41)14-4-2-12(37)6-16(14)31(23)28-25(39)24(38)17(9-35)42-28/h1-6,10,17,24-25,28-30,33-39H,7-9H2/t17-,24-,25-,28+/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on topoisomerase-2 mediated DNA cleavage using super coiled pBR322 plasmid DNA


Bioorg Med Chem Lett 10: 419-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00004-4
BindingDB Entry DOI: 10.7270/Q2F76BSS
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50086561
PNG
(CHEMBL134536 | NB-506 Analogue)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1c2cc(O)ccc2c2c3C(=O)N(NC(CO)CO)C(=O)c3c3c4ccc(O)cc4[nH]c3c12
Show InChI InChI=1S/C29H28N4O10/c1-10-24(38)25(39)26(40)29(43-10)32-17-7-13(37)3-5-15(17)19-21-20(27(41)33(28(21)42)31-11(8-34)9-35)18-14-4-2-12(36)6-16(14)30-22(18)23(19)32/h2-7,10-11,24-26,29-31,34-40H,8-9H2,1H3/t10-,24-,25+,26-,29-/m1/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on topoisomerase-2 mediated DNA cleavage using super coiled pBR322 plasmid DNA


Bioorg Med Chem Lett 10: 419-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00004-4
BindingDB Entry DOI: 10.7270/Q2F76BSS
More data for this
Ligand-Target Pair
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