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Compile Data Set for Download or QSAR

Found 241 hits of ic50 for UniProtKB: P11388   
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 topoisomerase 2-alpha/2-beta


(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 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50470378
PNG
(CHEMBL108283)
Show SMILES CNC(=O)OCc1cc(NC(=O)OC(C)(C)C)cc(Nc2c3ccccc3nc3ccccc23)c1
Show InChI InChI=1S/C27H28N4O4/c1-27(2,3)35-26(33)30-19-14-17(16-34-25(32)28-4)13-18(15-19)29-24-20-9-5-7-11-22(20)31-23-12-8-6-10-21(23)24/h5-15H,16H2,1-4H3,(H,28,32)(H,29,31)(H,30,33)
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n/an/a 20n/an/an/an/an/an/a



Sloan-Kettering Institute for Cancer Research

Curated by ChEMBL


Assay Description
In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation


J Med Chem 38: 3226-35 (1995)


Article DOI: 10.1021/jm00017a006
BindingDB Entry DOI: 10.7270/Q2XS5Z3R
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50470365
PNG
(CHEMBL326664)
Show SMILES CS(=O)(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1
Show InChI InChI=1S/C21H19N3O3S/c1-28(26,27)24-16-11-14(13-25)10-15(12-16)22-21-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)21/h2-12,24-25H,13H2,1H3,(H,22,23)
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n/an/a 45n/an/an/an/an/an/a



Sloan-Kettering Institute for Cancer Research

Curated by ChEMBL


Assay Description
In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation


J Med Chem 38: 3226-35 (1995)


Article DOI: 10.1021/jm00017a006
BindingDB Entry DOI: 10.7270/Q2XS5Z3R
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50470374
PNG
(CHEMBL322325)
Show SMILES CN(C)CCCC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1
Show InChI InChI=1S/C26H28N4O2/c1-30(2)13-7-12-25(32)27-19-14-18(17-31)15-20(16-19)28-26-21-8-3-5-10-23(21)29-24-11-6-4-9-22(24)26/h3-6,8-11,14-16,31H,7,12-13,17H2,1-2H3,(H,27,32)(H,28,29)
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n/an/a 54n/an/an/an/an/an/a



Sloan-Kettering Institute for Cancer Research

Curated by ChEMBL


Assay Description
In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation


J Med Chem 38: 3226-35 (1995)


Article DOI: 10.1021/jm00017a006
BindingDB Entry DOI: 10.7270/Q2XS5Z3R
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50470371
PNG
(CHEMBL325543)
Show SMILES CC(=O)OCc1cc(Nc2c3ccccc3nc3ccccc23)cc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C23H21N3O4S/c1-15(27)30-14-16-11-17(13-18(12-16)26-31(2,28)29)24-23-19-7-3-5-9-21(19)25-22-10-6-4-8-20(22)23/h3-13,26H,14H2,1-2H3,(H,24,25)
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n/an/a 63n/an/an/an/an/an/a



Sloan-Kettering Institute for Cancer Research

Curated by ChEMBL


Assay Description
In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation


J Med Chem 38: 3226-35 (1995)


Article DOI: 10.1021/jm00017a006
BindingDB Entry DOI: 10.7270/Q2XS5Z3R
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50470361
PNG
(CHEMBL108404)
Show SMILES CNC(=O)OCc1cc(N)cc(Nc2c3ccccc3nc3ccccc23)c1
Show InChI InChI=1S/C22H20N4O2/c1-24-22(27)28-13-14-10-15(23)12-16(11-14)25-21-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)21/h2-12H,13,23H2,1H3,(H,24,27)(H,25,26)
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n/an/a 116n/an/an/an/an/an/a



Sloan-Kettering Institute for Cancer Research

Curated by ChEMBL


Assay Description
In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation


J Med Chem 38: 3226-35 (1995)


Article DOI: 10.1021/jm00017a006
BindingDB Entry DOI: 10.7270/Q2XS5Z3R
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(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 2-alpha/2-beta


(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 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50470369
PNG
(CHEMBL325588)
Show SMILES OCc1cccc(Nc2c3ccccc3nc3ccccc23)c1
Show InChI InChI=1S/C20H16N2O/c23-13-14-6-5-7-15(12-14)21-20-16-8-1-3-10-18(16)22-19-11-4-2-9-17(19)20/h1-12,23H,13H2,(H,21,22)
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n/an/a 226n/an/an/an/an/an/a



Sloan-Kettering Institute for Cancer Research

Curated by ChEMBL


Assay Description
In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation


J Med Chem 38: 3226-35 (1995)


Article DOI: 10.1021/jm00017a006
BindingDB Entry DOI: 10.7270/Q2XS5Z3R
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50525581
PNG
(CHEMBL4469453)
Show SMILES Fc1ccc(COC(c2cccs2)c2cc3ccccc3nc2Cl)cc1
Show InChI InChI=1S/C21H15ClFNOS/c22-21-17(12-15-4-1-2-5-18(15)24-21)20(19-6-3-11-26-19)25-13-14-7-9-16(23)10-8-14/h1-12,20H,13H2
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n/an/a 230n/an/an/an/an/an/a



Kyushu Institute of Technology1-1 Sensuicho

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 2 in human MCF7 cells incubated for 18 to 24 hrs by kinase assay


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.042
BindingDB Entry DOI: 10.7270/Q2S46WDJ
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50471898
PNG
(CHEMBL135778)
Show SMILES N[C@@H]1CCN(C1)c1c(F)cc2c3c1oc1c4ccccc4ccc1n3cc(C(O)=O)c2=O |r|
Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-19-23(20(17)27-8-7-13(26)10-27)32-22-14-4-2-1-3-12(14)5-6-18(22)28(19)11-16(21(15)29)24(30)31/h1-6,9,11,13H,7-8,10,26H2,(H,30,31)/t13-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



The University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA


J Med Chem 41: 4273-8 (1998)


Article DOI: 10.1021/jm980265c
BindingDB Entry DOI: 10.7270/Q25X2CPR
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50471897
PNG
(CHEMBL137098)
Show SMILES N[C@@H]1CCN(C1)c1c(F)cc2c3c1oc1cc4ccccc4cc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-20-23(21(17)27-6-5-14(26)10-27)32-19-8-13-4-2-1-3-12(13)7-18(19)28(20)11-16(22(15)29)24(30)31/h1-4,7-9,11,14H,5-6,10,26H2,(H,30,31)/t14-/m1/s1
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n/an/a 420n/an/an/an/an/an/a



The University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA


J Med Chem 41: 4273-8 (1998)


Article DOI: 10.1021/jm980265c
BindingDB Entry DOI: 10.7270/Q25X2CPR
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50525582
PNG
(CHEMBL4470431)
Show SMILES Clc1ccc(COC(c2cccs2)c2cc3ccccc3nc2Cl)cc1
Show InChI InChI=1S/C21H15Cl2NOS/c22-16-9-7-14(8-10-16)13-25-20(19-6-3-11-26-19)17-12-15-4-1-2-5-18(15)24-21(17)23/h1-12,20H,13H2
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n/an/a 440n/an/an/an/an/an/a



Kyushu Institute of Technology1-1 Sensuicho

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 2 in human MCF7 cells incubated for 18 to 24 hrs by kinase assay


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.042
BindingDB Entry DOI: 10.7270/Q2S46WDJ
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50471907
PNG
(CHEMBL337526)
Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1cc4ccccc4cc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-20-23(21(17)27-6-5-14(26)10-27)32-19-8-13-4-2-1-3-12(13)7-18(19)28(20)11-16(22(15)29)24(30)31/h1-4,7-9,11,14H,5-6,10,26H2,(H,30,31)/t14-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



The University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA


J Med Chem 41: 4273-8 (1998)


Article DOI: 10.1021/jm980265c
BindingDB Entry DOI: 10.7270/Q25X2CPR
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50008935
PNG
((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O |r|
Show InChI InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Kyushu Institute of Technology1-1 Sensuicho

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 2 in human MCF7 cells incubated for 18 to 24 hrs by kinase assay


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.042
BindingDB Entry DOI: 10.7270/Q2S46WDJ
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50471900
PNG
(CHEMBL335700)
Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1c4ccccc4ccc1n3cc(C(O)=O)c2=O |r|
Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-19-23(20(17)27-8-7-13(26)10-27)32-22-14-4-2-1-3-12(14)5-6-18(22)28(19)11-16(21(15)29)24(30)31/h1-6,9,11,13H,7-8,10,26H2,(H,30,31)/t13-/m0/s1
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n/an/a 490n/an/an/an/an/an/a



The University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA


J Med Chem 41: 4273-8 (1998)


Article DOI: 10.1021/jm980265c
BindingDB Entry DOI: 10.7270/Q25X2CPR
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50470684
PNG
(CHEMBL173975)
Show SMILES Cl.Cl.C1CNC(=NC1)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C1=NCCCN1 |c:3,t:27|
Show InChI InChI=1S/C24H24N4O/c1-13-25-23(26-14-1)19-7-3-17(4-8-19)21-11-12-22(29-21)18-5-9-20(10-6-18)24-27-15-2-16-28-24/h3-12H,1-2,13-16H2,(H,25,26)(H,27,28)
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n/an/a 500n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibitory activity for 50% on topoisomerase II isolated from Giardia lamblia


J Med Chem 38: 912-6 (1995)


Article DOI: 10.1021/jm00006a009
BindingDB Entry DOI: 10.7270/Q2NC63ZC
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50470690
PNG
(CHEMBL367883)
Show SMILES [Cl-].[Cl-].N[C+](N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)[C+](N)N
Show InChI InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)/p+2
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n/an/a 500n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibitory activity for 50% on topoisomerase II isolated from Giardia lamblia


J Med Chem 38: 912-6 (1995)


Article DOI: 10.1021/jm00006a009
BindingDB Entry DOI: 10.7270/Q2NC63ZC
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50471895
PNG
(A-62176 | CHEMBL101299)
Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1ccccc1n3cc(C(O)=O)c2=O |r|
Show InChI InChI=1S/C20H16FN3O4/c21-13-7-11-16-19(17(13)23-6-5-10(22)8-23)28-15-4-2-1-3-14(15)24(16)9-12(18(11)25)20(26)27/h1-4,7,9-10H,5-6,8,22H2,(H,26,27)/t10-/m0/s1
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The University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA


J Med Chem 41: 4273-8 (1998)


Article DOI: 10.1021/jm980265c
BindingDB Entry DOI: 10.7270/Q25X2CPR
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50471905
PNG
(CHEMBL334497)
Show SMILES NC1CCN(C1)c1c(F)cc2c3c1oc1c4ccccc4ccc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-19-23(20(17)27-8-7-13(26)10-27)32-22-14-4-2-1-3-12(14)5-6-18(22)28(19)11-16(21(15)29)24(30)31/h1-6,9,11,13H,7-8,10,26H2,(H,30,31)
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n/an/a 550n/an/an/an/an/an/a



The University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA


J Med Chem 41: 4273-8 (1998)


Article DOI: 10.1021/jm980265c
BindingDB Entry DOI: 10.7270/Q25X2CPR
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50471906
PNG
(CHEMBL337205)
Show SMILES OC(=O)c1cn2c3cc4ccccc4cc3oc3c(N4CCNCC4)c(F)cc(c23)c1=O
Show InChI InChI=1S/C24H18FN3O4/c25-17-11-15-20-23(21(17)27-7-5-26-6-8-27)32-19-10-14-4-2-1-3-13(14)9-18(19)28(20)12-16(22(15)29)24(30)31/h1-4,9-12,26H,5-8H2,(H,30,31)
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n/an/a 640n/an/an/an/an/an/a



The University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA


J Med Chem 41: 4273-8 (1998)


Article DOI: 10.1021/jm980265c
BindingDB Entry DOI: 10.7270/Q25X2CPR
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50471903
PNG
(CHEMBL335387)
Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1ccc4ccccc4c1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-20-23(21(17)27-8-7-13(26)10-27)32-18-6-5-12-3-1-2-4-14(12)19(18)28(20)11-16(22(15)29)24(30)31/h1-6,9,11,13H,7-8,10,26H2,(H,30,31)/t13-/m0/s1
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n/an/a 720n/an/an/an/an/an/a



The University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA


J Med Chem 41: 4273-8 (1998)


Article DOI: 10.1021/jm980265c
BindingDB Entry DOI: 10.7270/Q25X2CPR
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50008935
PNG
((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O |r|
Show InChI InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



Kyushu Institute of Technology1-1 Sensuicho

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 2 in human HeLa cells incubated for 18 to 24 hrs by kinase assay


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.042
BindingDB Entry DOI: 10.7270/Q2S46WDJ
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50471902
PNG
(CHEMBL335643)
Show SMILES NC1CCN(C1)c1c(F)cc2c3c1oc1ccc4ccccc4c1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-20-23(21(17)27-8-7-13(26)10-27)32-18-6-5-12-3-1-2-4-14(12)19(18)28(20)11-16(22(15)29)24(30)31/h1-6,9,11,13H,7-8,10,26H2,(H,30,31)
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n/an/a 770n/an/an/an/an/an/a



The University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA


J Med Chem 41: 4273-8 (1998)


Article DOI: 10.1021/jm980265c
BindingDB Entry DOI: 10.7270/Q25X2CPR
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50471896
PNG
(CHEMBL423534)
Show SMILES NC1CCN(C1)c1c(F)cc2c3c1oc1cc4ccccc4cc1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-20-23(21(17)27-6-5-14(26)10-27)32-19-8-13-4-2-1-3-12(13)7-18(19)28(20)11-16(22(15)29)24(30)31/h1-4,7-9,11,14H,5-6,10,26H2,(H,30,31)
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n/an/a 770n/an/an/an/an/an/a



The University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA


J Med Chem 41: 4273-8 (1998)


Article DOI: 10.1021/jm980265c
BindingDB Entry DOI: 10.7270/Q25X2CPR
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50470357
PNG
(CHEMBL321473)
Show SMILES Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1
Show InChI InChI=1S/C20H17N3O/c21-14-9-13(12-24)10-15(11-14)22-20-16-5-1-3-7-18(16)23-19-8-4-2-6-17(19)20/h1-11,24H,12,21H2,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sloan-Kettering Institute for Cancer Research

Curated by ChEMBL


Assay Description
In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation


J Med Chem 38: 3226-35 (1995)


Article DOI: 10.1021/jm00017a006
BindingDB Entry DOI: 10.7270/Q2XS5Z3R
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM87351
PNG
(Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sloan-Kettering Institute for Cancer Research

Curated by ChEMBL


Assay Description
In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation


J Med Chem 38: 3226-35 (1995)


Article DOI: 10.1021/jm00017a006
BindingDB Entry DOI: 10.7270/Q2XS5Z3R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50470362
PNG
(CHEMBL444329)
Show SMILES CC(=O)CCC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1
Show InChI InChI=1S/C25H23N3O3/c1-16(30)10-11-24(31)26-18-12-17(15-29)13-19(14-18)27-25-20-6-2-4-8-22(20)28-23-9-5-3-7-21(23)25/h2-9,12-14,29H,10-11,15H2,1H3,(H,26,31)(H,27,28)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Sloan-Kettering Institute for Cancer Research

Curated by ChEMBL


Assay Description
In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation


J Med Chem 38: 3226-35 (1995)


Article DOI: 10.1021/jm00017a006
BindingDB Entry DOI: 10.7270/Q2XS5Z3R
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50470360
PNG
(CHEMBL109928)
Show SMILES CC(=O)CCC(=O)Nc1cc(COC(=O)CCC(C)=O)cc(Nc2c3ccccc3nc3ccccc23)c1
Show InChI InChI=1S/C30H29N3O5/c1-19(34)11-13-28(36)31-22-15-21(18-38-29(37)14-12-20(2)35)16-23(17-22)32-30-24-7-3-5-9-26(24)33-27-10-6-4-8-25(27)30/h3-10,15-17H,11-14,18H2,1-2H3,(H,31,36)(H,32,33)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Sloan-Kettering Institute for Cancer Research

Curated by ChEMBL


Assay Description
In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation


J Med Chem 38: 3226-35 (1995)


Article DOI: 10.1021/jm00017a006
BindingDB Entry DOI: 10.7270/Q2XS5Z3R
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM22984
PNG
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Guangxi University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2 in human CNE1 cells assessed as reduction in cell growth measured after 72 hrs by MTT assay


Bioorg Med Chem Lett 29: 1120-1126 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.026
BindingDB Entry DOI: 10.7270/Q290273D
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50471901
PNG
(CHEMBL422988)
Show SMILES N[C@@H]1CCN(C1)c1c(F)cc2c3c1oc1ccc4ccccc4c1n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C24H18FN3O4/c25-17-9-15-20-23(21(17)27-8-7-13(26)10-27)32-18-6-5-12-3-1-2-4-14(12)19(18)28(20)11-16(22(15)29)24(30)31/h1-6,9,11,13H,7-8,10,26H2,(H,30,31)/t13-/m1/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



The University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA


J Med Chem 41: 4273-8 (1998)


Article DOI: 10.1021/jm980265c
BindingDB Entry DOI: 10.7270/Q25X2CPR
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM22984
PNG
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Guangxi University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2 in human MCF7 cells assessed as reduction in cell growth measured after 72 hrs by MTT assay


Bioorg Med Chem Lett 29: 1120-1126 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.026
BindingDB Entry DOI: 10.7270/Q290273D
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50470688
PNG
(CHEMBL170751)
Show SMILES Cl.Cl.C1CCN=C(NC1)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C1=NCCCCN1 |c:3,t:28|
Show InChI InChI=1S/C26H28N4O/c1-2-16-28-25(27-15-1)21-9-5-19(6-10-21)23-13-14-24(31-23)20-7-11-22(12-8-20)26-29-17-3-4-18-30-26/h5-14H,1-4,15-18H2,(H,27,28)(H,29,30)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibitory activity for 50% on topoisomerase II isolated from Giardia lamblia


J Med Chem 38: 912-6 (1995)


Article DOI: 10.1021/jm00006a009
BindingDB Entry DOI: 10.7270/Q2NC63ZC
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50471899
PNG
(CHEMBL137263)
Show SMILES OC(=O)c1cn2c3ccc4ccccc4c3oc3c(N4CCNCC4)c(F)cc(c23)c1=O
Show InChI InChI=1S/C24H18FN3O4/c25-17-11-15-19-23(20(17)27-9-7-26-8-10-27)32-22-14-4-2-1-3-13(14)5-6-18(22)28(19)12-16(21(15)29)24(30)31/h1-6,11-12,26H,7-10H2,(H,30,31)
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n/an/a 1.84E+3n/an/an/an/an/an/a



The University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA


J Med Chem 41: 4273-8 (1998)


Article DOI: 10.1021/jm980265c
BindingDB Entry DOI: 10.7270/Q25X2CPR
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50474910
PNG
(CHEMBL189836)
Show SMILES [H][C@@]1(CC[C@]2(C)C3CCC4C(C)(C)C(=O)C(C=O)=C[C@]4(C)C3=CC[C@]12C)[C@H](C)CC[C@@H](O)C(C)(C)O |c:17,23|
Show InChI InChI=1S/C31H48O4/c1-19(9-12-25(33)28(4,5)35)21-13-15-31(8)23-10-11-24-27(2,3)26(34)20(18-32)17-29(24,6)22(23)14-16-30(21,31)7/h14,17-19,21,23-25,33,35H,9-13,15-16H2,1-8H3/t19-,21-,23?,24?,25-,29-,30-,31-/m1/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Osaka University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA topoisomerase II


Bioorg Med Chem Lett 15: 2966-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.052
BindingDB Entry DOI: 10.7270/Q2NZ8BDQ
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM22984
PNG
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Guangxi University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2 in human A549 cells assessed as reduction in cell growth measured after 72 hrs by MTT assay


Bioorg Med Chem Lett 29: 1120-1126 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.026
BindingDB Entry DOI: 10.7270/Q290273D
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM22984
PNG
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Guangxi University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2 in human HepG2 cells assessed as reduction in cell growth measured after 72 hrs by MTT assay


Bioorg Med Chem Lett 29: 1120-1126 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.026
BindingDB Entry DOI: 10.7270/Q290273D
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50470364
PNG
(CHEMBL111592)
Show SMILES [Cl-].CS(=O)(=O)Nc1cc(C[n+]2ccccc2)cc(Nc2c3ccccc3nc3ccccc23)c1
Show InChI InChI=1S/C26H23N4O2S/c1-33(31,32)29-21-16-19(18-30-13-7-2-8-14-30)15-20(17-21)27-26-22-9-3-5-11-24(22)28-25-12-6-4-10-23(25)26/h2-17,29H,18H2,1H3,(H,27,28)/q+1
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n/an/a 2.97E+3n/an/an/an/an/an/a



Sloan-Kettering Institute for Cancer Research

Curated by ChEMBL


Assay Description
In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation


J Med Chem 38: 3226-35 (1995)


Article DOI: 10.1021/jm00017a006
BindingDB Entry DOI: 10.7270/Q2XS5Z3R
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50470689
PNG
(CHEMBL171287)
Show SMILES Cl.Cl.C1CCC2N=C(NC2C1)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C1=NC2CCCCC2N1 |c:4,t:31|
Show InChI InChI=1S/C30H32N4O.2ClH/c1-2-6-24-23(5-1)31-29(32-24)21-13-9-19(10-14-21)27-17-18-28(35-27)20-11-15-22(16-12-20)30-33-25-7-3-4-8-26(25)34-30;;/h9-18,23-26H,1-8H2,(H,31,32)(H,33,34);2*1H
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n/an/a 3.00E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibitory activity for 50% on topoisomerase II isolated from Giardia lamblia


J Med Chem 38: 912-6 (1995)


Article DOI: 10.1021/jm00006a009
BindingDB Entry DOI: 10.7270/Q2NC63ZC
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50470685
PNG
(CHEMBL557158)
Show SMILES Cl.C1CN=C(N1)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C1=NCCN1 |c:2,t:26|
Show InChI InChI=1S/C22H20N4O/c1-5-17(21-23-11-12-24-21)6-2-15(1)19-9-10-20(27-19)16-3-7-18(8-4-16)22-25-13-14-26-22/h1-10H,11-14H2,(H,23,24)(H,25,26)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibitory activity for 50% on topoisomerase II isolated from Giardia lamblia


J Med Chem 38: 912-6 (1995)


Article DOI: 10.1021/jm00006a009
BindingDB Entry DOI: 10.7270/Q2NC63ZC
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM22984
PNG
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Guangxi University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2 in human HeLa cells assessed as reduction in cell growth measured after 72 hrs by MTT assay


Bioorg Med Chem Lett 29: 1120-1126 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.026
BindingDB Entry DOI: 10.7270/Q290273D
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM22984
PNG
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Guangxi University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2 in human MDA-MB-231 cells assessed as reduction in cell growth measured after 72 hrs by MTT assay


Bioorg Med Chem Lett 29: 1120-1126 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.026
BindingDB Entry DOI: 10.7270/Q290273D
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50525580
PNG
(CHEMBL4456370)
Show SMILES OC(c1cccs1)c1cc2ccccc2nc1Cl
Show InChI InChI=1S/C14H10ClNOS/c15-14-10(13(17)12-6-3-7-18-12)8-9-4-1-2-5-11(9)16-14/h1-8,13,17H
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n/an/a 4.95E+3n/an/an/an/an/an/a



Kyushu Institute of Technology1-1 Sensuicho

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 2 in human HeLa cells incubated for 18 to 24 hrs by kinase assay


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.042
BindingDB Entry DOI: 10.7270/Q2S46WDJ
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(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

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2W66NX0
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50033731
PNG
((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl...)
Show SMILES CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4|
Show InChI InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3-8,18-21H,1-2H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



Guangxi University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2 in human MCF7 cells assessed as reduction in cell growth measured after 72 hrs by MTT assay


Bioorg Med Chem Lett 29: 1120-1126 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.026
BindingDB Entry DOI: 10.7270/Q290273D
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50033731
PNG
((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl...)
Show SMILES CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4|
Show InChI InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3-8,18-21H,1-2H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Guangxi University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2 in human HepG2 cells assessed as reduction in cell growth measured after 72 hrs by MTT assay


Bioorg Med Chem Lett 29: 1120-1126 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.026
BindingDB Entry DOI: 10.7270/Q290273D
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50033731
PNG
((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl...)
Show SMILES CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4|
Show InChI InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3-8,18-21H,1-2H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



Guangxi University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2 in human HeLa cells assessed as reduction in cell growth measured after 72 hrs by MTT assay


Bioorg Med Chem Lett 29: 1120-1126 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.026
BindingDB Entry DOI: 10.7270/Q290273D
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(Homo sapiens (Human))
BDBM50033731
PNG
((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl...)
Show SMILES CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4|
Show InChI InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3-8,18-21H,1-2H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



Guangxi University

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 2 in human MDA-MB-231 cells assessed as reduction in cell growth measured after 72 hrs by MTT assay


Bioorg Med Chem Lett 29: 1120-1126 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.026
BindingDB Entry DOI: 10.7270/Q290273D
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(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 8.61E+3n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type gyrase in Escherichia coli


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


BindingDB Entry DOI: 10.7270/Q2862JN2
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha/2-beta


(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 |r|
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 8.85E+3n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type gyrase in Escherichia coli


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


BindingDB Entry DOI: 10.7270/Q2862JN2
More data for this
Ligand-Target Pair
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