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PubMed code 29885574

Compile data set for download or QSAR
Found 14 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))
BDBM50468489
PNG
(CHEMBL1305588)
Show SMILES C1CCC(CC1)Nc1nc2ccccc2n2cnnc12
Show InChI InChI=1S/C15H17N5/c1-2-6-11(7-3-1)17-14-15-19-16-10-20(15)13-9-5-4-8-12(13)18-14/h4-5,8-11H,1-3,6-7H2,(H,17,18)
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n/an/a 680n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468484
PNG
(CHEMBL4288104)
Show SMILES COc1cccc(NC(=O)CSc2nnc3c4nncn4c4ccccc4n23)c1
Show InChI InChI=1S/C19H15N7O2S/c1-28-13-6-4-5-12(9-13)21-16(27)10-29-19-24-23-18-17-22-20-11-25(17)14-7-2-3-8-15(14)26(18)19/h2-9,11H,10H2,1H3,(H,21,27)
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n/an/a 850n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(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 880n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468485
PNG
(CHEMBL4286850)
Show SMILES Fc1ccc(NC(=O)CSc2nnc3c4nncn4c4ccccc4n23)cc1
Show InChI InChI=1S/C18H12FN7OS/c19-11-5-7-12(8-6-11)21-15(27)9-28-18-24-23-17-16-22-20-10-25(16)13-3-1-2-4-14(13)26(17)18/h1-8,10H,9H2,(H,21,27)
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n/an/a 940n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468490
PNG
(CHEMBL4291398)
Show SMILES Sc1nnc2c3nncn3c3ccccc3n12
Show InChI InChI=1S/C10H6N6S/c17-10-14-13-9-8-12-11-5-15(8)6-3-1-2-4-7(6)16(9)10/h1-5H,(H,14,17)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468486
PNG
(CHEMBL4281274)
Show SMILES O=C(NNc1nc2ccccc2n2cnnc12)Nc1ccccc1
Show InChI InChI=1S/C16H13N7O/c24-16(18-11-6-2-1-3-7-11)22-20-14-15-21-17-10-23(15)13-9-5-4-8-12(13)19-14/h1-10H,(H,19,20)(H2,18,22,24)
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n/an/a 1.19E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468482
PNG
(CHEMBL4291890)
Show SMILES O=C(NNc1nc2ccccc2n2cnnc12)NC1CCCCC1
Show InChI InChI=1S/C16H19N7O/c24-16(18-11-6-2-1-3-7-11)22-20-14-15-21-17-10-23(15)13-9-5-4-8-12(13)19-14/h4-5,8-11H,1-3,6-7H2,(H,19,20)(H2,18,22,24)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468480
PNG
(CHEMBL4282332)
Show SMILES Clc1ccccc1\C=N\Nc1nc2ccccc2n2cnnc12
Show InChI InChI=1S/C16H11ClN6/c17-12-6-2-1-5-11(12)9-18-21-15-16-22-19-10-23(16)14-8-4-3-7-13(14)20-15/h1-10H,(H,20,21)/b18-9+
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n/an/a 1.91E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468479
PNG
(CHEMBL4280810)
Show SMILES CCCCNc1nc2ccccc2n2cnnc12
Show InChI InChI=1S/C13H15N5/c1-2-3-8-14-12-13-17-15-9-18(13)11-7-5-4-6-10(11)16-12/h4-7,9H,2-3,8H2,1H3,(H,14,16)
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n/an/a 1.94E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50015825
PNG
(CHEMBL73133 | Methyl-[1,2,4]triazolo[4,3-a]quinoxa...)
Show SMILES CNc1nc2ccccc2n2cnnc12
Show InChI InChI=1S/C10H9N5/c1-11-9-10-14-12-6-15(10)8-5-3-2-4-7(8)13-9/h2-6H,1H3,(H,11,13)
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n/an/a 2.09E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468483
PNG
(CHEMBL4288069)
Show SMILES CCOC(=O)CSc1nnc2c3nncn3c3ccccc3n12
Show InChI InChI=1S/C14H12N6O2S/c1-2-22-11(21)7-23-14-18-17-13-12-16-15-8-19(12)9-5-3-4-6-10(9)20(13)14/h3-6,8H,2,7H2,1H3
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n/an/a 2.12E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468488
PNG
(CHEMBL4290204)
Show SMILES Clc1cccc(Cl)c1\C=N\Nc1nc2ccccc2n2cnnc12
Show InChI InChI=1S/C16H10Cl2N6/c17-11-4-3-5-12(18)10(11)8-19-22-15-16-23-20-9-24(16)14-7-2-1-6-13(14)21-15/h1-9H,(H,21,22)/b19-8+
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n/an/a 2.97E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468481
PNG
(CHEMBL4276735)
Show SMILES S=C(NNc1nc2ccccc2n2cnnc12)Nc1ccccc1
Show InChI InChI=1S/C16H13N7S/c24-16(18-11-6-2-1-3-7-11)22-20-14-15-21-17-10-23(15)13-9-5-4-8-12(13)19-14/h1-10H,(H,19,20)(H2,18,22,24)
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n/an/a 2.98E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50468487
PNG
(CHEMBL4284675)
Show SMILES CCNC(=S)NNc1nc2ccccc2n2cnnc12
Show InChI InChI=1S/C12H13N7S/c1-2-13-12(20)18-16-10-11-17-14-7-19(11)9-6-4-3-5-8(9)15-10/h3-7H,2H2,1H3,(H,15,16)(H2,13,18,20)
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n/an/a 5.38E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis


Eur J Med Chem 155: 117-134 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.004
BindingDB Entry DOI: 10.7270/Q2TT4TN9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%