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PubMed code 25453816

Compile data set for download or QSAR
Found 27 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))
BDBM50127140
PNG
((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
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Article
PubMed
n/an/a 3.38E+4n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035880
PNG
(CHEMBL1437990)
Show SMILES Nc1nc(SCCc2ccccc2)c2nc[nH]c2n1
Show InChI InChI=1S/C13H13N5S/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17,18)
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n/an/a 8.50E+4n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035856
PNG
(CHEMBL1345545)
Show SMILES Nc1nc(CSC(=S)N2CCOCC2)nc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C15H17FN6OS2/c16-10-1-3-11(4-2-10)18-14-20-12(19-13(17)21-14)9-25-15(24)22-5-7-23-8-6-22/h1-4H,5-9H2,(H3,17,18,19,20,21)
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n/an/a 1.39E+5n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035855
PNG
(CHEMBL1505015)
Show SMILES COc1ccc(Nc2nc(N)nc(CSC(=S)N3CCOCC3)n2)cc1
Show InChI InChI=1S/C16H20N6O2S2/c1-23-12-4-2-11(3-5-12)18-15-20-13(19-14(17)21-15)10-26-16(25)22-6-8-24-9-7-22/h2-5H,6-10H2,1H3,(H3,17,18,19,20,21)
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n/an/a 2.29E+5n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035860
PNG
(CHEMBL3361009)
Show SMILES Nc1nc(CSc2nnn[nH]2)nc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C11H10FN9S/c12-6-1-3-7(4-2-6)14-10-16-8(15-9(13)17-10)5-22-11-18-20-21-19-11/h1-4H,5H2,(H,18,19,20,21)(H3,13,14,15,16,17)
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n/an/a 3.37E+5n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035872
PNG
(CHEMBL3361019)
Show SMILES Cc1cc(O)nc(N\N=C/c2ccncc2)n1
Show InChI InChI=1S/C11H11N5O/c1-8-6-10(17)15-11(14-8)16-13-7-9-2-4-12-5-3-9/h2-7H,1H3,(H2,14,15,16,17)/b13-7-
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035857
PNG
(CHEMBL1451460)
Show SMILES CN1CCN(CC1)C(=S)SCc1nc(N)nc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C16H20FN7S2/c1-23-6-8-24(9-7-23)16(25)26-10-13-20-14(18)22-15(21-13)19-12-4-2-11(17)3-5-12/h2-5H,6-10H2,1H3,(H3,18,19,20,21,22)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035863
PNG
(CHEMBL3361012)
Show SMILES Nc1nc(CSc2nnc(o2)C2CC2)nc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C15H14FN7OS/c16-9-3-5-10(6-4-9)18-14-20-11(19-13(17)21-14)7-25-15-23-22-12(24-15)8-1-2-8/h3-6,8H,1-2,7H2,(H3,17,18,19,20,21)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035864
PNG
(CHEMBL3361013)
Show SMILES Nc1nc(CSC2CCCC2)nc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C15H18FN5S/c16-10-5-7-11(8-6-10)18-15-20-13(19-14(17)21-15)9-22-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H3,17,18,19,20,21)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035876
PNG
(CHEMBL3361023)
Show SMILES Cc1cc(CNc2ncccc2C(N)=O)ccn1
Show InChI InChI=1S/C13H14N4O/c1-9-7-10(4-6-15-9)8-17-13-11(12(14)18)3-2-5-16-13/h2-7H,8H2,1H3,(H2,14,18)(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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035878
PNG
(CHEMBL3361025)
Show SMILES Cc1cc(CNc2nc3CCCc3cc2C(N)=O)ccn1
Show InChI InChI=1S/C16H18N4O/c1-10-7-11(5-6-18-10)9-19-16-13(15(17)21)8-12-3-2-4-14(12)20-16/h5-8H,2-4,9H2,1H3,(H2,17,21)(H,19,20)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035873
PNG
(CHEMBL3361020)
Show SMILES Cc1cc(O)nc(N\N=C/c2cccnc2)n1
Show InChI InChI=1S/C11H11N5O/c1-8-5-10(17)15-11(14-8)16-13-7-9-3-2-4-12-6-9/h2-7H,1H3,(H2,14,15,16,17)/b13-7-
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035867
PNG
(CHEMBL3352903)
Show SMILES C[C@H](Sc1nc(N)nc(N)n1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C10H16N6O2S/c1-6(7(17)16-2-4-18-5-3-16)19-10-14-8(11)13-9(12)15-10/h6H,2-5H2,1H3,(H4,11,12,13,14,15)/t6-/m0/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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035868
PNG
(CHEMBL579923 | GNF-Pf-4873 | SJ000233075 | TCMDC-1...)
Show SMILES COc1cccc(c1)C(=O)NCc1nnc(S)n1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H14Cl2N4O2S/c1-25-12-4-2-3-10(7-12)16(24)20-9-15-21-22-17(26)23(15)11-5-6-13(18)14(19)8-11/h2-8H,9H2,1H3,(H,20,24)(H,22,26)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035870
PNG
(CHEMBL3361017)
Show SMILES Fc1ccc(cc1)-n1c(CNC(=O)c2ccccc2F)n[nH]c1=S
Show InChI InChI=1S/C16H12F2N4OS/c17-10-5-7-11(8-6-10)22-14(20-21-16(22)24)9-19-15(23)12-3-1-2-4-13(12)18/h1-8H,9H2,(H,19,23)(H,21,24)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035874
PNG
(CHEMBL3361021)
Show SMILES C[C@H](Sc1nc(N)cc(O)n1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C11H16N4O3S/c1-7(10(17)15-2-4-18-5-3-15)19-11-13-8(12)6-9(16)14-11/h6-7H,2-5H2,1H3,(H3,12,13,14,16)/t7-/m0/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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035858
PNG
(CHEMBL3361008)
Show SMILES CN(C1CCCCC1)C(=S)SCc1nc(N)nc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C18H23FN6S2/c1-25(14-5-3-2-4-6-14)18(26)27-11-15-22-16(20)24-17(23-15)21-13-9-7-12(19)8-10-13/h7-10,14H,2-6,11H2,1H3,(H3,20,21,22,23,24)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035861
PNG
(CHEMBL3361010)
Show SMILES Nc1nc(CSc2nnnn2C2CCCC2)nc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C16H18FN9S/c17-10-5-7-11(8-6-10)19-15-21-13(20-14(18)22-15)9-27-16-23-24-25-26(16)12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H3,18,19,20,21,22)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035871
PNG
(CHEMBL3361018)
Show SMILES FC(F)(F)c1ccccc1C(=O)NCc1n[nH]c(=S)n1-c1ccccc1
Show InChI InChI=1S/C17H13F3N4OS/c18-17(19,20)13-9-5-4-8-12(13)15(25)21-10-14-22-23-16(26)24(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,25)(H,23,26)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035875
PNG
(CHEMBL3361022)
Show SMILES Cc1cc(O)nc(NCCCn2ccnc2)n1
Show InChI InChI=1S/C11H15N5O/c1-9-7-10(17)15-11(14-9)13-3-2-5-16-6-4-12-8-16/h4,6-8H,2-3,5H2,1H3,(H2,13,14,15,17)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035877
PNG
(CHEMBL3361024)
Show SMILES Cc1cc(CNc2nc(C)ccc2C(N)=O)ccn1
Show InChI InChI=1S/C14H16N4O/c1-9-3-4-12(13(15)19)14(18-9)17-8-11-5-6-16-10(2)7-11/h3-7H,8H2,1-2H3,(H2,15,19)(H,17,18)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035869
PNG
(CHEMBL3361016)
Show SMILES COc1cccc(c1)C(=O)NCc1n[nH]c(=S)n1-c1ccccc1Cl |(22.22,-20.31,;21.07,-19.28,;19.6,-19.76,;19.29,-21.28,;17.82,-21.76,;16.68,-20.73,;17,-19.23,;18.46,-18.74,;15.86,-18.2,;14.4,-18.67,;16.18,-16.69,;15.03,-15.66,;15.35,-14.15,;14.32,-13.01,;15.09,-11.68,;16.6,-11.99,;17.74,-10.96,;16.76,-13.53,;18.1,-14.3,;18.09,-15.85,;19.43,-16.62,;20.77,-15.85,;20.76,-14.3,;19.42,-13.53,;19.42,-11.99,)|
Show InChI InChI=1S/C17H15ClN4O2S/c1-24-12-6-4-5-11(9-12)16(23)19-10-15-20-21-17(25)22(15)14-8-3-2-7-13(14)18/h2-9H,10H2,1H3,(H,19,23)(H,21,25)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035866
PNG
(CHEMBL3361015)
Show SMILES Nc1nc(N)nc(CSc2nnc(o2)-c2cccnc2)n1
Show InChI InChI=1S/C11H10N8OS/c12-9-15-7(16-10(13)17-9)5-21-11-19-18-8(20-11)6-2-1-3-14-4-6/h1-4H,5H2,(H4,12,13,15,16,17)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035859
PNG
(CHEMBL1597544)
Show SMILES COc1ccc(Nc2nc(N)nc(CSC(=S)N3CCCCC3)n2)cc1
Show InChI InChI=1S/C17H22N6OS2/c1-24-13-7-5-12(6-8-13)19-16-21-14(20-15(18)22-16)11-26-17(25)23-9-3-2-4-10-23/h5-8H,2-4,9-11H2,1H3,(H3,18,19,20,21,22)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035879
PNG
(CHEMBL3361026)
Show SMILES COc1ccc(CNc2ncccc2C(N)=O)cc1OC
Show InChI InChI=1S/C15H17N3O3/c1-20-12-6-5-10(8-13(12)21-2)9-18-15-11(14(16)19)4-3-7-17-15/h3-8H,9H2,1-2H3,(H2,16,19)(H,17,18)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035862
PNG
(CHEMBL3361011)
Show SMILES Cn1nnnc1SCc1nc(N)nc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C12H12FN9S/c1-22-12(19-20-21-22)23-6-9-16-10(14)18-11(17-9)15-8-4-2-7(13)3-5-8/h2-5H,6H2,1H3,(H3,14,15,16,17,18)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50035865
PNG
(CHEMBL3361014)
Show SMILES CCCn1ccnc1SCc1nc(N)nc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C16H18FN7S/c1-2-8-24-9-7-19-16(24)25-10-13-21-14(18)23-15(22-13)20-12-5-3-11(17)4-6-12/h3-7,9H,2,8,10H2,1H3,(H3,18,20,21,22,23)
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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 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry


Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%