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PubMed code 26312433

Compile data set for download or QSAR
Found 20 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 I (Topo I)


(Homo sapiens (Human))
BDBM50081726
PNG
(CHEMBL3623268)
Show SMILES COc1ccc(\C=C2\NC(=S)NC2=O)cc1C
Show InChI InChI=1S/C12H12N2O2S/c1-7-5-8(3-4-10(7)16-2)6-9-11(15)14-12(17)13-9/h3-6H,1-2H3,(H2,13,14,15,17)/b9-6+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50119351
PNG
(CHEMBL3623275)
Show SMILES Brc1csc(\C=C2\NC(=O)NC2=O)c1
Show InChI InChI=1S/C8H5BrN2O2S/c9-4-1-5(14-3-4)2-6-7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)/b6-2+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50018914
PNG
(CHEMBL3623263)
Show SMILES COc1ccc(\C=C2\NC(=S)NC2=O)cc1OC
Show InChI InChI=1S/C12H12N2O3S/c1-16-9-4-3-7(6-10(9)17-2)5-8-11(15)14-12(18)13-8/h3-6H,1-2H3,(H2,13,14,15,18)/b8-5+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50095650
PNG
(CHEMBL3623271)
Show SMILES Cc1ccc(\C=C2\NC(=S)NC2=O)cc1
Show InChI InChI=1S/C11H10N2OS/c1-7-2-4-8(5-3-7)6-9-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)/b9-6+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50332532
PNG
((E)-5-(3,4,5-trimethoxybenzylidene)imidazolidine-2...)
Show SMILES COc1cc(\C=C2\NC(=O)NC2=O)cc(OC)c1OC
Show InChI InChI=1S/C13H14N2O5/c1-18-9-5-7(6-10(19-2)11(9)20-3)4-8-12(16)15-13(17)14-8/h4-6H,1-3H3,(H2,14,15,16,17)/b8-4+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50114770
PNG
(CHEMBL3623272)
Show SMILES COc1ccc(cn1)-c1ccc(\C=C2\NC(=O)NC2=O)s1
Show InChI InChI=1S/C14H11N3O3S/c1-20-12-5-2-8(7-15-12)11-4-3-9(21-11)6-10-13(18)17-14(19)16-10/h2-7H,1H3,(H2,16,17,18,19)/b10-6+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50013078
PNG
(CHEMBL3623261)
Show SMILES Cn1cc(\C=C2\NC(=S)NC2=O)c2ccccc12
Show InChI InChI=1S/C13H11N3OS/c1-16-7-8(9-4-2-3-5-11(9)16)6-10-12(17)15-13(18)14-10/h2-7H,1H3,(H2,14,15,17,18)/b10-6+
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n/an/an/an/a 4.90E+4n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049751
PNG
(CHEMBL3623264)
Show SMILES COc1cc(\C=C2\NC(=S)NC2=O)cc(OC)c1OC
Show InChI InChI=1S/C13H14N2O4S/c1-17-9-5-7(6-10(18-2)11(9)19-3)4-8-12(16)15-13(20)14-8/h4-6H,1-3H3,(H2,14,15,16,20)/b8-4+
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n/an/an/an/a 9.32E+4n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049758
PNG
(CHEMBL3623267)
Show SMILES [O-][N+](=O)c1ccc(\C=C2\NC(=S)NC2=O)cc1
Show InChI InChI=1S/C10H7N3O3S/c14-9-8(11-10(17)12-9)5-6-1-3-7(4-2-6)13(15)16/h1-5H,(H2,11,12,14,17)/b8-5+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50095648
PNG
(CHEMBL3623270)
Show SMILES COc1ccc(\C=C2\NC(=S)NC2=O)cc1
Show InChI InChI=1S/C11H10N2O2S/c1-15-8-4-2-7(3-5-8)6-9-10(14)13-11(16)12-9/h2-6H,1H3,(H2,12,13,14,16)/b9-6+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50114772
PNG
(CHEMBL3623273)
Show SMILES COc1ccc(cn1)-c1csc(\C=C2\NC(=O)NC2=O)c1
Show InChI InChI=1S/C14H11N3O3S/c1-20-12-3-2-8(6-15-12)9-4-10(21-7-9)5-11-13(18)17-14(19)16-11/h2-7H,1H3,(H2,16,17,18,19)/b11-5+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50119352
PNG
(CHEMBL3623276)
Show SMILES Cc1cc(C)cc(\C=C2\NC(=O)NC2=O)c1
Show InChI InChI=1S/C12H12N2O2/c1-7-3-8(2)5-9(4-7)6-10-11(15)14-12(16)13-10/h3-6H,1-2H3,(H2,13,14,15,16)/b10-6+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50119353
PNG
(CHEMBL3623277)
Show SMILES Cc1ccc(\C=C2\NC(=O)NC2=O)cc1
Show InChI InChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)6-9-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)/b9-6+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50018912
PNG
(CHEMBL3623262)
Show SMILES Brc1csc(\C=C2\NC(=S)NC2=O)c1
Show InChI InChI=1S/C8H5BrN2OS2/c9-4-1-5(14-3-4)2-6-7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)/b6-2+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50445298
PNG
(CHEMBL3104229)
Show SMILES O=C1NC(=S)N\C1=C\c1ccc(s1)-c1cccnc1
Show InChI InChI=1S/C13H9N3OS2/c17-12-10(15-13(18)16-12)6-9-3-4-11(19-9)8-2-1-5-14-7-8/h1-7H,(H2,15,16,17,18)/b10-6+
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n/an/an/an/a 2.77E+4n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049752
PNG
(CHEMBL3623265)
Show SMILES COc1ccc(cn1)-c1csc(\C=C2\NC(=S)NC2=O)c1
Show InChI InChI=1S/C14H11N3O2S2/c1-19-12-3-2-8(6-15-12)9-4-10(21-7-9)5-11-13(18)17-14(20)16-11/h2-7H,1H3,(H2,16,17,18,20)/b11-5+
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n/an/an/an/a 3.03E+4n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049755
PNG
(CHEMBL3623266)
Show SMILES COc1ccc(cn1)-c1ccc(\C=C2\NC(=S)NC2=O)s1
Show InChI InChI=1S/C14H11N3O2S2/c1-19-12-5-2-8(7-15-12)11-4-3-9(21-11)6-10-13(18)17-14(20)16-10/h2-7H,1H3,(H2,16,17,18,20)/b10-6+
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n/an/an/an/a 1.01E+4n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50115810
PNG
(CHEMBL139899)
Show SMILES COc1ccc(C=C2NC(=O)NC2=O)cc1OC
Show InChI InChI=1S/C12H12N2O4/c1-17-9-4-3-7(6-10(9)18-2)5-8-11(15)14-12(16)13-8/h3-6H,1-2H3,(H2,13,14,15,16)/b8-5+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50119350
PNG
(CHEMBL3623274)
Show SMILES COc1ccc(\C=C2\NC(=O)NC2=O)cc1C
Show InChI InChI=1S/C12H12N2O3/c1-7-5-8(3-4-10(7)17-2)6-9-11(15)14-12(16)13-9/h3-6H,1-2H3,(H2,13,14,15,16)/b9-6+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50081727
PNG
(CHEMBL3623269)
Show SMILES COc1cccc(\C=C2\NC(=S)NC2=O)c1
Show InChI InChI=1S/C11H10N2O2S/c1-15-8-4-2-3-7(5-8)6-9-10(14)13-11(16)12-9/h2-6H,1H3,(H2,12,13,14,16)/b9-6+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...


Eur J Med Chem 102: 540-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.032
BindingDB Entry DOI: 10.7270/Q2FB54SZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%