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PubMed code 26183545

Compile data set for download or QSAR
Found 47 hits of Enzyme Inhibition Constant Data   
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 2-alpha


(Homo sapiens (Human))
BDBM50354232
PNG
(CHEMBL1836470)
Show SMILES Clc1cccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)c1
Show InChI InChI=1S/C17H14ClN3OS2/c18-14-8-4-7-13(9-14)11-24-17-20-15(22)19-16(21-17)23-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,20,21,22)
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n/an/a 5.46E+4n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354237
PNG
(CHEMBL1836463)
Show SMILES Fc1ccccc1CSc1nc(SCc2ccccc2)nc(=O)[nH]1
Show InChI InChI=1S/C17H14FN3OS2/c18-14-9-5-4-8-13(14)11-24-17-20-15(22)19-16(21-17)23-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20,21,22)
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n/an/a 7.25E+4n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354234
PNG
(CHEMBL1836469)
Show SMILES Clc1ccccc1CSc1nc(SCc2ccccc2)nc(=O)[nH]1
Show InChI InChI=1S/C17H14ClN3OS2/c18-14-9-5-4-8-13(14)11-24-17-20-15(22)19-16(21-17)23-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20,21,22)
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n/an/a 9.41E+4n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354247
PNG
(CHEMBL1836465)
Show SMILES Fc1ccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)cc1
Show InChI InChI=1S/C17H14FN3OS2/c18-14-8-6-13(7-9-14)11-24-17-20-15(22)19-16(21-17)23-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,20,21,22)
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n/an/a 1.47E+5n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354243
PNG
(CHEMBL1836509)
Show SMILES O=c1nc(SCc2ccccc2)nc(SCc2ccc(cc2)C#N)[nH]1
Show InChI InChI=1S/C18H14N4OS2/c19-10-13-6-8-15(9-7-13)12-25-18-21-16(23)20-17(22-18)24-11-14-4-2-1-3-5-14/h1-9H,11-12H2,(H,20,21,22,23)
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n/an/a 1.53E+5n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354254
PNG
(CHEMBL1836506)
Show SMILES Clc1ccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)cc1
Show InChI InChI=1S/C17H14ClN3OS2/c18-14-8-6-13(7-9-14)11-24-17-20-15(22)19-16(21-17)23-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,20,21,22)
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n/an/a 2.19E+5n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354248
PNG
(CHEMBL1836513)
Show SMILES CCCCSc1nc(SCc2ccccc2)[nH]c(=O)n1
Show InChI InChI=1S/C14H17N3OS2/c1-2-3-9-19-13-15-12(18)16-14(17-13)20-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,16,17,18)
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n/an/a 2.35E+5n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354255
PNG
(CHEMBL1836468)
Show SMILES [O-][N+](=O)c1ccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)cc1
Show InChI InChI=1S/C17H14N4O3S2/c22-15-18-16(25-10-12-4-2-1-3-5-12)20-17(19-15)26-11-13-6-8-14(9-7-13)21(23)24/h1-9H,10-11H2,(H,18,19,20,22)
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n/an/a 3.59E+5n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354233
PNG
(CHEMBL1836466)
Show SMILES [O-][N+](=O)c1ccccc1CSc1nc(SCc2ccccc2)nc(=O)[nH]1
Show InChI InChI=1S/C17H14N4O3S2/c22-15-18-16(25-10-12-6-2-1-3-7-12)20-17(19-15)26-11-13-8-4-5-9-14(13)21(23)24/h1-9H,10-11H2,(H,18,19,20,22)
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n/an/a 3.77E+5n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354249
PNG
(CHEMBL1836516)
Show SMILES O=c1nc(SCC2CC2)nc(SCc2ccccc2)[nH]1
Show InChI InChI=1S/C14H15N3OS2/c18-12-15-13(19-8-10-4-2-1-3-5-10)17-14(16-12)20-9-11-6-7-11/h1-5,11H,6-9H2,(H,15,16,17,18)
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n/an/a 4.81E+5n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354246
PNG
(CHEMBL1836461)
Show SMILES COc1cccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)c1
Show InChI InChI=1S/C18H17N3O2S2/c1-23-15-9-5-8-14(10-15)12-25-18-20-16(22)19-17(21-18)24-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,19,20,21,22)
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n/an/a 4.85E+5n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354239
PNG
(CHEMBL1836510)
Show SMILES Fc1cc(ccc1CSc1nc(SCc2ccccc2)nc(=O)[nH]1)C#N
Show InChI InChI=1S/C18H13FN4OS2/c19-15-8-13(9-20)6-7-14(15)11-26-18-22-16(24)21-17(23-18)25-10-12-4-2-1-3-5-12/h1-8H,10-11H2,(H,21,22,23,24)
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n/an/a 4.86E+5n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354244
PNG
(CHEMBL1836467)
Show SMILES [O-][N+](=O)c1cccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)c1
Show InChI InChI=1S/C17H14N4O3S2/c22-15-18-16(25-10-12-5-2-1-3-6-12)20-17(19-15)26-11-13-7-4-8-14(9-13)21(23)24/h1-9H,10-11H2,(H,18,19,20,22)
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n/an/a 4.88E+5n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354242
PNG
(CHEMBL1836507)
Show SMILES O=c1nc(SCc2ccccc2)nc(SCc2ccccc2C#N)[nH]1
Show InChI InChI=1S/C18H14N4OS2/c19-10-14-8-4-5-9-15(14)12-25-18-21-16(23)20-17(22-18)24-11-13-6-2-1-3-7-13/h1-9H,11-12H2,(H,20,21,22,23)
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n/an/a 5.22E+5n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354238
PNG
(CHEMBL1836508)
Show SMILES O=c1nc(SCc2ccccc2)nc(SCc2cccc(c2)C#N)[nH]1
Show InChI InChI=1S/C18H14N4OS2/c19-10-14-7-4-8-15(9-14)12-25-18-21-16(23)20-17(22-18)24-11-13-5-2-1-3-6-13/h1-9H,11-12H2,(H,20,21,22,23)
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n/an/a 5.28E+5n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104570
PNG
(CHEMBL3594325)
Show SMILES OC(=O)CSC1NC(=O)NC(SCc2ccccc2)=N1 |c:19|
Show InChI InChI=1S/C12H13N3O3S2/c16-9(17)7-20-12-14-10(18)13-11(15-12)19-6-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,16,17)(H2,13,14,15,18)
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104575
PNG
(CHEMBL1836522)
Show SMILES COc1nc(N[C@H](CCC(O)=O)C(O)=O)nc(OC)n1 |r|
Show InChI InChI=1S/C10H14N4O6/c1-19-9-12-8(13-10(14-9)20-2)11-5(7(17)18)3-4-6(15)16/h5H,3-4H2,1-2H3,(H,15,16)(H,17,18)(H,11,12,13,14)/t5-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104606
PNG
(CHEMBL1836521)
Show SMILES COc1nc(Nc2ccccc2C(O)=O)nc(OC)n1
Show InChI InChI=1S/C12H12N4O4/c1-19-11-14-10(15-12(16-11)20-2)13-8-6-4-3-5-7(8)9(17)18/h3-6H,1-2H3,(H,17,18)(H,13,14,15,16)
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104612
PNG
(CHEMBL1836531)
Show SMILES Clc1nc(Cl)nc(Nc2ccccc2Br)n1
Show InChI InChI=1S/C9H5BrCl2N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104613
PNG
(CHEMBL1836529)
Show SMILES CCc1ccccc1Nc1nc(Cl)nc(Cl)n1
Show InChI InChI=1S/C11H10Cl2N4/c1-2-7-5-3-4-6-8(7)14-11-16-9(12)15-10(13)17-11/h3-6H,2H2,1H3,(H,14,15,16,17)
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104617
PNG
(CHEMBL1836540)
Show SMILES Sc1nc(SCc2ccccc2)nc(=O)[nH]1
Show InChI InChI=1S/C10H9N3OS2/c14-8-11-9(15)13-10(12-8)16-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13,14,15)
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104400
PNG
(CHEMBL3594328)
Show SMILES Nc1ccc(cc1)-c1nc(=S)[nH]c(=O)[nH]1
Show InChI InChI=1S/C9H8N4OS/c10-6-3-1-5(2-4-6)7-11-8(14)13-9(15)12-7/h1-4H,10H2,(H2,11,12,13,14,15)
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104321
PNG
(CHEMBL1836538)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc(S)[nH]c(=O)n1
Show InChI InChI=1S/C9H6N4O3S/c14-8-10-7(11-9(17)12-8)5-2-1-3-6(4-5)13(15)16/h1-4H,(H2,10,11,12,14,17)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354245
PNG
(CHEMBL1836519)
Show SMILES O=c1nc(SCC2CCCCC2)nc(SCc2ccccc2)[nH]1
Show InChI InChI=1S/C17H21N3OS2/c21-15-18-16(22-11-13-7-3-1-4-8-13)20-17(19-15)23-12-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,18,19,20,21)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104573
PNG
(CHEMBL3593349)
Show SMILES COc1nc(OC)nc(Sc2ccccc2C(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)n1 |r|
Show InChI InChI=1S/C31H30N4O7S/c1-39-29-33-30(40-2)35-31(34-29)43-25-16-10-9-15-23(25)27(37)32-24(28(38)42-20-22-13-7-4-8-14-22)17-18-26(36)41-19-21-11-5-3-6-12-21/h3-16,24H,17-20H2,1-2H3,(H,32,37)/t24-/m1/s1
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354250
PNG
(CHEMBL1836512)
Show SMILES CCCSc1nc(SCc2ccccc2)[nH]c(=O)n1
Show InChI InChI=1S/C13H15N3OS2/c1-2-8-18-12-14-11(17)15-13(16-12)19-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15,16,17)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354241
PNG
(CHEMBL1836462)
Show SMILES COc1ccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)cc1
Show InChI InChI=1S/C18H17N3O2S2/c1-23-15-9-7-14(8-10-15)12-25-18-20-16(22)19-17(21-18)24-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,20,21,22)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354256
PNG
(CHEMBL1836460)
Show SMILES COc1ccccc1CSc1nc(SCc2ccccc2)nc(=O)[nH]1
Show InChI InChI=1S/C18H17N3O2S2/c1-23-15-10-6-5-9-14(15)12-25-18-20-16(22)19-17(21-18)24-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,20,21,22)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104574
PNG
(CHEMBL3593348)
Show SMILES COc1nc(N[C@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)nc(OC)n1 |r|
Show InChI InChI=1S/C24H26N4O6/c1-31-23-26-22(27-24(28-23)32-2)25-19(21(30)34-16-18-11-7-4-8-12-18)13-14-20(29)33-15-17-9-5-3-6-10-17/h3-12,19H,13-16H2,1-2H3,(H,25,26,27,28)/t19-/m1/s1
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104607
PNG
(CHEMBL1836520)
Show SMILES COc1nc(OC)nc(Sc2ccccc2C(O)=O)n1
Show InChI InChI=1S/C12H11N3O4S/c1-18-10-13-11(19-2)15-12(14-10)20-8-6-4-3-5-7(8)9(16)17/h3-6H,1-2H3,(H,16,17)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104609
PNG
(CHEMBL3593347)
Show SMILES CC(C)OC(=O)C(C)NC(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C16H17Cl2N5O3/c1-8(2)26-13(25)9(3)19-12(24)10-4-6-11(7-5-10)20-16-22-14(17)21-15(18)23-16/h4-9H,1-3H3,(H,19,24)(H,20,21,22,23)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104616
PNG
(CHEMBL1836526)
Show SMILES COC(=O)c1ccccc1Nc1nc(Cl)nc(Cl)n1
Show InChI InChI=1S/C11H8Cl2N4O2/c1-19-8(18)6-4-2-3-5-7(6)14-11-16-9(12)15-10(13)17-11/h2-5H,1H3,(H,14,15,16,17)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104571
PNG
(CHEMBL3594324)
Show SMILES O=C1NC(Sc2ccccc2)N=C(N1)SCc1ccccc1 |c:12|
Show InChI InChI=1S/C16H15N3OS2/c20-14-17-15(21-11-12-7-3-1-4-8-12)19-16(18-14)22-13-9-5-2-6-10-13/h1-10,16H,11H2,(H2,17,18,19,20)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104566
PNG
(CHEMBL1836535)
Show SMILES CN(CCO)c1nc(Cl)nc(Nc2ccccc2CCO)n1
Show InChI InChI=1S/C14H18ClN5O2/c1-20(7-9-22)14-18-12(15)17-13(19-14)16-11-5-3-2-4-10(11)6-8-21/h2-5,21-22H,6-9H2,1H3,(H,16,17,18,19)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104614
PNG
(CHEMBL1836528)
Show SMILES CC(C)(C)c1ccccc1Nc1nc(Cl)nc(Cl)n1
Show InChI InChI=1S/C13H14Cl2N4/c1-13(2,3)8-6-4-5-7-9(8)16-12-18-10(14)17-11(15)19-12/h4-7H,1-3H3,(H,16,17,18,19)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104568
PNG
(CHEMBL3594327)
Show SMILES COc1ccc(CNc2nc(Cl)nc(Nc3ccccc3CCO)n2)cc1
Show InChI InChI=1S/C19H20ClN5O2/c1-27-15-8-6-13(7-9-15)12-21-18-23-17(20)24-19(25-18)22-16-5-3-2-4-14(16)10-11-26/h2-9,26H,10-12H2,1H3,(H2,21,22,23,24,25)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM119117
PNG
(MurF inhibitor (compound 59))
Show SMILES OCCc1ccccc1Nc1nc(Cl)nc(Cl)n1
Show InChI InChI=1S/C11H10Cl2N4O/c12-9-15-10(13)17-11(16-9)14-8-4-2-1-3-7(8)5-6-18/h1-4,18H,5-6H2,(H,14,15,16,17)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104611
PNG
(CHEMBL1836534)
Show SMILES COc1ccc(CNc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C11H10Cl2N4O/c1-18-8-4-2-7(3-5-8)6-14-11-16-9(12)15-10(13)17-11/h2-5H,6H2,1H3,(H,14,15,16,17)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104569
PNG
(CHEMBL3594326)
Show SMILES OCCc1ccccc1Nc1nc(Cl)nc(NCc2ccccc2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-16-22-17(20-12-13-6-2-1-3-7-13)24-18(23-16)21-15-9-5-4-8-14(15)10-11-25/h1-9,25H,10-12H2,(H2,20,21,22,23,24)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104322
PNG
(CHEMBL1836537)
Show SMILES Sc1nc(nc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C9H7N3OS/c13-8-10-7(11-9(14)12-8)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12,13,14)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104610
PNG
(CHEMBL1836527)
Show SMILES COc1ccc(CCNc2nc(Cl)nc(Cl)n2)cc1OC
Show InChI InChI=1S/C13H14Cl2N4O2/c1-20-9-4-3-8(7-10(9)21-2)5-6-16-13-18-11(14)17-12(15)19-13/h3-4,7H,5-6H2,1-2H3,(H,16,17,18,19)
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104608
PNG
(CHEMBL1836524)
Show SMILES COC(=O)c1ccccc1Oc1nc(OC)nc(OC)n1
Show InChI InChI=1S/C13H13N3O5/c1-18-10(17)8-6-4-5-7-9(8)21-13-15-11(19-2)14-12(16-13)20-3/h4-7H,1-3H3
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104572
PNG
(CHEMBL3593350)
Show SMILES COc1nc(N[C@@H](C)C(=O)OCc2ccccc2)nc(Nc2ccccc2C(=O)N[C@@H](C)C(=O)OCc2ccccc2)n1 |r|
Show InChI InChI=1S/C31H32N6O6/c1-20(27(39)42-18-22-12-6-4-7-13-22)32-26(38)24-16-10-11-17-25(24)34-30-35-29(36-31(37-30)41-3)33-21(2)28(40)43-19-23-14-8-5-9-15-23/h4-17,20-21H,18-19H2,1-3H3,(H,32,38)(H2,33,34,35,36,37)/t20-,21-/m0/s1
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National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50354240
PNG
(CHEMBL1836517)
Show SMILES O=c1nc(SCC2CCC2)nc(SCc2ccccc2)[nH]1
Show InChI InChI=1S/C15H17N3OS2/c19-13-16-14(20-9-11-5-2-1-3-6-11)18-15(17-13)21-10-12-7-4-8-12/h1-3,5-6,12H,4,7-10H2,(H,16,17,18,19)
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104615
PNG
(CHEMBL1836525)
Show SMILES OC(=O)c1ccccc1Sc1nc(Cl)nc(Cl)n1
Show InChI InChI=1S/C10H5Cl2N3O2S/c11-8-13-9(12)15-10(14-8)18-6-4-2-1-3-5(6)7(16)17/h1-4H,(H,16,17)
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104447
PNG
(CHEMBL1836539)
Show SMILES Cc1ccc(cc1)-c1nc(S)[nH]c(=O)n1
Show InChI InChI=1S/C10H9N3OS/c1-6-2-4-7(5-3-6)8-11-9(14)13-10(15)12-8/h2-5H,1H3,(H2,11,12,13,14,15)
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n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50104567
PNG
(CHEMBL1836536)
Show SMILES COc1ccc(CNc2nc(Cl)nc(n2)N(C)CCO)cc1
Show InChI InChI=1S/C14H18ClN5O2/c1-20(7-8-21)14-18-12(15)17-13(19-14)16-9-10-3-5-11(22-2)6-4-10/h3-6,21H,7-9H2,1-2H3,(H,16,17,18,19)
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins


Bioorg Med Chem 23: 4218-29 (2015)


Article DOI: 10.1016/j.bmc.2015.06.049
BindingDB Entry DOI: 10.7270/Q2RJ4M72
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%