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Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'aihara' and Initial = 'h'   
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
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM188529
PNG
(2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...)
Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)
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n/an/a 25n/an/an/an/an/an/a



National Institutes of Health



Assay Description
Ten-million cells (1 x 107), either human, chicken DT40 wild type, or knockout for TDP2 and complemented with human TDP2, were collected, washed, and...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 mutant 9M(mTDP2 9M)


(Mus musculus (Mouse))
BDBM188529
PNG
(2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...)
Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)
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n/an/a 29n/an/an/an/an/an/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM188529
PNG
(2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...)
Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)
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n/an/a 33n/an/an/an/an/an/a



National Institutes of Health



Assay Description
Ten-million cells (1 x 107), either human, chicken DT40 wild type, or knockout for TDP2 and complemented with human TDP2, were collected, washed, and...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM188529
PNG
(2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...)
Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)
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n/an/a 40n/an/an/an/an/an/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438863
PNG
(10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H10N4O3/c19-9-10-1-2-11-8-14-16(20-18(25)21-17(14)24)22(15(11)7-10)12-3-5-13(23)6-4-12/h1-8,23H,(H,21,24,25)
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n/an/a 62n/an/an/an/an/an/a



National Institutes of Health



Assay Description
Ten-million cells (1 x 107), either human, chicken DT40 wild type, or knockout for TDP2 and complemented with human TDP2, were collected, washed, and...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438863
PNG
(10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H10N4O3/c19-9-10-1-2-11-8-14-16(20-18(25)21-17(14)24)22(15(11)7-10)12-3-5-13(23)6-4-12/h1-8,23H,(H,21,24,25)
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n/an/a 140n/an/an/an/an/an/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 mutant 9M(mTDP2 9M)


(Mus musculus (Mouse))
BDBM50438863
PNG
(10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H10N4O3/c19-9-10-1-2-11-8-14-16(20-18(25)21-17(14)24)22(15(11)7-10)12-3-5-13(23)6-4-12/h1-8,23H,(H,21,24,25)
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n/an/a 170n/an/an/an/an/an/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438865
PNG
(2,4-Dioxo-10-phenyl-pyrimido[4,5-b]quinoline-8-car...)
Show SMILES O=c1nc2n(-c3ccccc3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C18H10N4O2/c19-10-11-6-7-12-9-14-16(20-18(24)21-17(14)23)22(15(12)8-11)13-4-2-1-3-5-13/h1-9H,(H,21,23,24)
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n/an/a 180n/an/an/an/an/an/a



National Institutes of Health



Assay Description
Ten-million cells (1 x 107), either human, chicken DT40 wild type, or knockout for TDP2 and complemented with human TDP2, were collected, washed, and...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 mutant 9M(mTDP2 9M)


(Mus musculus (Mouse))
BDBM50438865
PNG
(2,4-Dioxo-10-phenyl-pyrimido[4,5-b]quinoline-8-car...)
Show SMILES O=c1nc2n(-c3ccccc3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C18H10N4O2/c19-10-11-6-7-12-9-14-16(20-18(24)21-17(14)23)22(15(12)8-11)13-4-2-1-3-5-13/h1-9H,(H,21,23,24)
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n/an/a 260n/an/an/an/an/an/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438865
PNG
(2,4-Dioxo-10-phenyl-pyrimido[4,5-b]quinoline-8-car...)
Show SMILES O=c1nc2n(-c3ccccc3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C18H10N4O2/c19-10-11-6-7-12-9-14-16(20-18(24)21-17(14)23)22(15(12)8-11)13-4-2-1-3-5-13/h1-9H,(H,21,23,24)
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n/an/a 300n/an/an/an/an/an/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 mutant 8M (mTDP2 8M)


(Mus musculus (Mouse))
BDBM188529
PNG
(2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...)
Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)
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n/an/a 580n/an/an/an/an/an/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 mutant 8M (mTDP2 8M)


(Mus musculus (Mouse))
BDBM188529
PNG
(2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...)
Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)
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National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 mutant 8M (mTDP2 8M)


(Mus musculus (Mouse))
BDBM50438863
PNG
(10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H10N4O3/c19-9-10-1-2-11-8-14-16(20-18(25)21-17(14)24)22(15(11)7-10)12-3-5-13(23)6-4-12/h1-8,23H,(H,21,24,25)
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosyl-DNA phosphodiesterase 2 mutant 5M (mTDP2 5M)


(Mus musculus (Mouse))
BDBM188529
PNG
(2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...)
Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)
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n/an/a 1.20E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161982
PNG
(CHEMBL3792690)
Show SMILES Clc1cccc(c1)-c1ccc2CC(=O)NC(=O)c2c1
Show InChI InChI=1S/C15H10ClNO2/c16-12-3-1-2-9(6-12)10-4-5-11-8-14(18)17-15(19)13(11)7-10/h1-7H,8H2,(H,17,18,19)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50162054
PNG
(CHEMBL3792834)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C16H14N2O4S/c1-23(21,22)18-13-5-2-10(3-6-13)11-4-7-14-12(8-11)9-15(19)17-16(14)20/h2-8,18H,9H2,1H3,(H,17,19,20)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50162054
PNG
(CHEMBL3792834)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C16H14N2O4S/c1-23(21,22)18-13-5-2-10(3-6-13)11-4-7-14-12(8-11)9-15(19)17-16(14)20/h2-8,18H,9H2,1H3,(H,17,19,20)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human TDP2 expressed in DT40 cells (TDP2-knockout) using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins ...


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438870
PNG
(8-Chloro-10-(4-hydroxyphenyl)pyrimido[4,5-b]quinol...)
Show SMILES Oc1ccc(cc1)-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O
Show InChI InChI=1S/C17H10ClN3O3/c18-10-2-1-9-7-13-15(19-17(24)20-16(13)23)21(14(9)8-10)11-3-5-12(22)6-4-11/h1-8,22H,(H,20,23,24)
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n/an/a 2.30E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
Ten-million cells (1 x 107), either human, chicken DT40 wild type, or knockout for TDP2 and complemented with human TDP2, were collected, washed, and...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161997
PNG
(CHEMBL3792519)
Show SMILES Ic1cccc2CC(=O)NC(=O)c12
Show InChI InChI=1S/C9H6INO2/c10-6-3-1-2-5-4-7(12)11-9(13)8(5)6/h1-3H,4H2,(H,11,12,13)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human TDP2 expressed in DT40 cells (TDP2-knockout) using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins ...


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161973
PNG
(CHEMBL3792448)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C16H10F3NO2/c17-16(18,19)12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(21)20-15(13)22/h1-7H,8H2,(H,20,21,22)
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human TDP2 expressed in DT40 cells (TDP2-knockout) using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins ...


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161976
PNG
(CHEMBL3792608)
Show SMILES COc1ccc(cc1F)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C16H12FNO3/c1-21-14-5-3-10(7-13(14)17)9-2-4-12-11(6-9)8-15(19)18-16(12)20/h2-7H,8H2,1H3,(H,18,19,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161993
PNG
(CHEMBL3792475)
Show SMILES OC(=O)c1ccc2CC(=O)NC(=O)c2c1
Show InChI InChI=1S/C10H7NO4/c12-8-4-5-1-2-6(10(14)15)3-7(5)9(13)11-8/h1-3H,4H2,(H,14,15)(H,11,12,13)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161973
PNG
(CHEMBL3792448)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C16H10F3NO2/c17-16(18,19)12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(21)20-15(13)22/h1-7H,8H2,(H,20,21,22)
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161982
PNG
(CHEMBL3792690)
Show SMILES Clc1cccc(c1)-c1ccc2CC(=O)NC(=O)c2c1
Show InChI InChI=1S/C15H10ClNO2/c16-12-3-1-2-9(6-12)10-4-5-11-8-14(18)17-15(19)13(11)7-10/h1-7H,8H2,(H,17,18,19)
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161983
PNG
(CHEMBL3793043)
Show SMILES Clc1cccc(c1)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C15H10ClNO2/c16-12-3-1-2-9(7-12)10-4-5-13-11(6-10)8-14(18)17-15(13)19/h1-7H,8H2,(H,17,18,19)
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161994
PNG
(CHEMBL3793011)
Show SMILES FC(F)(F)c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C10H6F3NO2/c11-10(12,13)6-1-2-7-5(3-6)4-8(15)14-9(7)16/h1-3H,4H2,(H,14,15,16)
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human TDP2 expressed in DT40 cells (TDP2-knockout) using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins ...


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 mutant 8M (mTDP2 8M)


(Mus musculus (Mouse))
BDBM50438865
PNG
(2,4-Dioxo-10-phenyl-pyrimido[4,5-b]quinoline-8-car...)
Show SMILES O=c1nc2n(-c3ccccc3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C18H10N4O2/c19-10-11-6-7-12-9-14-16(20-18(24)21-17(14)23)22(15(12)8-11)13-4-2-1-3-5-13/h1-9H,(H,21,23,24)
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n/an/a 3.70E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50438870
PNG
(8-Chloro-10-(4-hydroxyphenyl)pyrimido[4,5-b]quinol...)
Show SMILES Oc1ccc(cc1)-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O
Show InChI InChI=1S/C17H10ClN3O3/c18-10-2-1-9-7-13-15(19-17(24)20-16(13)23)21(14(9)8-10)11-3-5-12(22)6-4-11/h1-8,22H,(H,20,23,24)
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n/an/a 3.90E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 mutant 9M(mTDP2 9M)


(Mus musculus (Mouse))
BDBM50438870
PNG
(8-Chloro-10-(4-hydroxyphenyl)pyrimido[4,5-b]quinol...)
Show SMILES Oc1ccc(cc1)-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O
Show InChI InChI=1S/C17H10ClN3O3/c18-10-2-1-9-7-13-15(19-17(24)20-16(13)23)21(14(9)8-10)11-3-5-12(22)6-4-11/h1-8,22H,(H,20,23,24)
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n/an/a 4.00E+3n/an/an/an/an/an/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161975
PNG
(CHEMBL3793616)
Show SMILES Fc1ccc(cc1Cl)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C15H9ClFNO2/c16-12-6-9(2-4-13(12)17)8-1-3-11-10(5-8)7-14(19)18-15(11)20/h1-6H,7H2,(H,18,19,20)
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161976
PNG
(CHEMBL3792608)
Show SMILES COc1ccc(cc1F)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C16H12FNO3/c1-21-14-5-3-10(7-13(14)17)9-2-4-12-11(6-9)8-15(19)18-16(12)20/h2-7H,8H2,1H3,(H,18,19,20)
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human TDP2 expressed in DT40 cells (TDP2-knockout) using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins ...


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161974
PNG
(CHEMBL3792897)
Show SMILES Fc1ccc(c(F)c1)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C15H9F2NO2/c16-10-2-4-11(13(17)7-10)8-1-3-12-9(5-8)6-14(19)18-15(12)20/h1-5,7H,6H2,(H,18,19,20)
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50162055
PNG
(CHEMBL3793925)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc2CC(=O)NC(=O)c2c1
Show InChI InChI=1S/C16H14N2O4S/c1-23(21,22)18-13-4-2-3-10(7-13)11-5-6-12-9-15(19)17-16(20)14(12)8-11/h2-8,18H,9H2,1H3,(H,17,19,20)
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161981
PNG
(CHEMBL3793872)
Show SMILES Clc1ccc(cc1)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C15H10ClNO2/c16-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(18)17-15(13)19/h1-7H,8H2,(H,17,18,19)
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161971
PNG
(CHEMBL3793413)
Show SMILES O=C1Cc2cc(ccc2C(=O)N1)-c1nc2ccccc2s1
Show InChI InChI=1S/C16H10N2O2S/c19-14-8-10-7-9(5-6-11(10)15(20)18-14)16-17-12-3-1-2-4-13(12)21-16/h1-7H,8H2,(H,18,19,20)
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161993
PNG
(CHEMBL3792475)
Show SMILES OC(=O)c1ccc2CC(=O)NC(=O)c2c1
Show InChI InChI=1S/C10H7NO4/c12-8-4-5-1-2-6(10(14)15)3-7(5)9(13)11-8/h1-3H,4H2,(H,14,15)(H,11,12,13)
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human TDP2 expressed in DT40 cells (TDP2-knockout) using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins ...


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161975
PNG
(CHEMBL3793616)
Show SMILES Fc1ccc(cc1Cl)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C15H9ClFNO2/c16-12-6-9(2-4-13(12)17)8-1-3-11-10(5-8)7-14(19)18-15(11)20/h1-6H,7H2,(H,18,19,20)
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human TDP2 expressed in DT40 cells (TDP2-knockout) using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins ...


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161967
PNG
(CHEMBL3794248)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)c1ccc2CC(=O)NC(=O)c2c1
Show InChI InChI=1S/C16H10N2O5/c19-14-8-9-4-5-11(7-13(9)16(21)17-14)15(20)10-2-1-3-12(6-10)18(22)23/h1-7H,8H2,(H,17,19,21)
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161974
PNG
(CHEMBL3792897)
Show SMILES Fc1ccc(c(F)c1)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C15H9F2NO2/c16-10-2-4-11(13(17)7-10)8-1-3-12-9(5-8)6-14(19)18-15(12)20/h1-5,7H,6H2,(H,18,19,20)
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human TDP2 expressed in DT40 cells (TDP2-knockout) using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins ...


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161984
PNG
(CHEMBL3792520)
Show SMILES CC(=O)c1cccc(c1)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C17H13NO3/c1-10(19)11-3-2-4-12(7-11)13-5-6-15-14(8-13)9-16(20)18-17(15)21/h2-8H,9H2,1H3,(H,18,20,21)
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161983
PNG
(CHEMBL3793043)
Show SMILES Clc1cccc(c1)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C15H10ClNO2/c16-12-3-1-2-9(7-12)10-4-5-13-11(6-10)8-14(18)17-15(13)19/h1-7H,8H2,(H,17,18,19)
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161981
PNG
(CHEMBL3793872)
Show SMILES Clc1ccc(cc1)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C15H10ClNO2/c16-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(18)17-15(13)19/h1-7H,8H2,(H,17,18,19)
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161980
PNG
(CHEMBL3794044)
Show SMILES Brc1cccc(c1)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C15H10BrNO2/c16-12-3-1-2-9(7-12)10-4-5-13-11(6-10)8-14(18)17-15(13)19/h1-7H,8H2,(H,17,18,19)
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161994
PNG
(CHEMBL3793011)
Show SMILES FC(F)(F)c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C10H6F3NO2/c11-10(12,13)6-1-2-7-5(3-6)4-8(15)14-9(7)16/h1-3H,4H2,(H,14,15,16)
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161979
PNG
(CHEMBL3792592)
Show SMILES Brc1ccc(cc1)-c1ccc2CC(=O)NC(=O)c2c1
Show InChI InChI=1S/C15H10BrNO2/c16-12-5-3-9(4-6-12)10-1-2-11-8-14(18)17-15(19)13(11)7-10/h1-7H,8H2,(H,17,18,19)
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161997
PNG
(CHEMBL3792519)
Show SMILES Ic1cccc2CC(=O)NC(=O)c12
Show InChI InChI=1S/C9H6INO2/c10-6-3-1-2-5-4-7(12)11-9(13)8(5)6/h1-3H,4H2,(H,11,12,13)
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161987
PNG
(CHEMBL3793467)
Show SMILES Ic1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C9H6INO2/c10-6-1-2-7-5(3-6)4-8(12)11-9(7)13/h1-3H,4H2,(H,11,12,13)
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n/an/a 7.60E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161980
PNG
(CHEMBL3794044)
Show SMILES Brc1cccc(c1)-c1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C15H10BrNO2/c16-12-3-1-2-9(7-12)10-4-5-13-11(6-10)8-14(18)17-15(13)19/h1-7H,8H2,(H,17,18,19)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161970
PNG
(CHEMBL3793669)
Show SMILES O=C1Cc2cc(ccc2C(=O)N1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C18H12N2O2/c21-17-9-13-7-11(5-6-15(13)18(22)20-17)14-8-12-3-1-2-4-16(12)19-10-14/h1-8,10H,9H2,(H,20,21,22)
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n/an/a 9.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50161987
PNG
(CHEMBL3793467)
Show SMILES Ic1ccc2C(=O)NC(=O)Cc2c1
Show InChI InChI=1S/C9H6INO2/c10-6-1-2-7-5(3-6)4-8(12)11-9(7)13/h1-3H,4H2,(H,11,12,13)
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n/an/a 9.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay


J Med Chem 59: 2734-46 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01973
BindingDB Entry DOI: 10.7270/Q20P11XD
More data for this
Ligand-Target Pair
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