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Compile Data Set for Download or QSAR

Found 330 hits with Last Name = 'abdelmalak' and Initial = 'm'   
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 (Human))
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/a7.5n/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 [E242G,S244A,Q278R,I281T,K282R,R316G,P318T,Y321CH323L]


(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/a7.5n/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 (Human))
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/a7.5n/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 (Human))
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/a7.5n/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 (Human))
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/a7.5n/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 (Human))
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/a7.5n/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 [E242G,S244A,Q278R,I281T,K282R,R316G,P318T,Y321CH323L]


(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/a7.5n/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 (Human))
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/a7.5n/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 [E242G,S244A,Q278R,I281T,K282R,R316G,P318T,Y321CH323L]


(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/a7.5n/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 (Human))
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/a7.5n/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 [E242G,S244A,Q278R,I281T,K282R,R316G,P318T,Y321C]


(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/a7.5n/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 [E242G,S244A,Q278R,I281T,K282R,R316G,P318T,Y321C]


(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 710n/an/an/an/a7.5n/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 1


(Homo sapiens (Human))
BDBM50425088
PNG
(CHEMBL375623 | US9402842, 54)
Show SMILES COc1ccc-2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C20H17N3O5/c1-28-12-4-6-14-15(10-12)19(24)17-13-5-3-11(23(26)27)9-16(13)20(25)22(18(14)17)8-2-7-21/h3-6,9-10H,2,7-8,21H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50388544
PNG
(CHEMBL2057323)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCNCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C41H36N4O4/c46-38-30-16-5-3-14-28(30)36-34(38)26-12-1-7-18-32(26)40(48)44(36)24-10-22-42-20-9-21-43-23-11-25-45-37-29-15-4-6-17-31(29)39(47)35(37)27-13-2-8-19-33(27)41(45)49/h1-8,12-19,42-43H,9-11,20-25H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50082039
PNG
(CHEMBL3422398)
Show SMILES Br.NCCCn1c2-c3cc(O)ccc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C19H15N3O5/c20-6-1-7-21-17-14-9-11(23)3-5-13(14)18(24)16(17)12-4-2-10(22(26)27)8-15(12)19(21)25/h2-5,8-9,23H,1,6-7,20H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50425087
PNG
(CHEMBL218884 | US9402842, 55)
Show SMILES COc1cccc2C(=O)c3c(-c12)n(CCCN)c(=O)c1cc(ccc31)[N+]([O-])=O
Show InChI InChI=1S/C20H17N3O5/c1-28-15-5-2-4-13-16(15)18-17(19(13)24)12-7-6-11(23(26)27)10-14(12)20(25)22(18)9-3-8-21/h2,4-7,10H,3,8-9,21H2,1H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 [E242G,S244A,Q278R,I281T,K282R,R316G,P318T,Y321C]


(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/a7.5n/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 [Q278R,I281T,K282R,P318T,Y321C]


(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/a7.5n/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 (Human))
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 (Human))
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 (Human))
BDBM50375597
PNG
(CHEMBL4169615)
Show SMILES CCOC(=O)c1noc2c1C(=O)c1cccnc1C2=O
Show InChI InChI=1S/C13H8N2O5/c1-2-19-13(18)9-7-10(16)6-4-3-5-14-8(6)11(17)12(7)20-15-9/h3-5H,2H2,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using TY18 (alpha-[32P]-cordycepin-3'-labeled) as substrate after 15 mins by PAGE analysis


Eur J Med Chem 151: 777-796 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.024
BindingDB Entry DOI: 10.7270/Q20R9RZ8
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
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 (Human))
BDBM50375597
PNG
(CHEMBL4169615)
Show SMILES CCOC(=O)c1noc2c1C(=O)c1cccnc1C2=O
Show InChI InChI=1S/C13H8N2O5/c1-2-19-13(18)9-7-10(16)6-4-3-5-14-8(6)11(17)12(7)20-15-9/h3-5H,2H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human TDP2 expressed in TDP2 deficient chicken DT40 whole cell extracts using TY19 DNA as substrate after 15 mins by by PAGE analysis


Eur J Med Chem 151: 777-796 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.024
BindingDB Entry DOI: 10.7270/Q20R9RZ8
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
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 (Human))
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/a7.5n/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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
BDBM50378160
PNG
(CHEMBL4161684)
Show SMILES CCOC(=O)c1noc2c1C(=O)c1ncccc1C2=O
Show InChI InChI=1S/C13H8N2O5/c1-2-19-13(18)9-7-11(17)8-6(4-3-5-14-8)10(16)12(7)20-15-9/h3-5H,2H2,1H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human TDP2 expressed in TDP2 deficient chicken DT40 whole cell extracts using TY19 DNA as substrate after 15 mins by by PAGE analysis


Eur J Med Chem 151: 777-796 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.024
BindingDB Entry DOI: 10.7270/Q20R9RZ8
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
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 (Human))
BDBM50378160
PNG
(CHEMBL4161684)
Show SMILES CCOC(=O)c1noc2c1C(=O)c1ncccc1C2=O
Show InChI InChI=1S/C13H8N2O5/c1-2-19-13(18)9-7-11(17)8-6(4-3-5-14-8)10(16)12(7)20-15-9/h3-5H,2H2,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using TY18 (alpha-[32P]-cordycepin-3'-labeled) as substrate after 15 mins by PAGE analysis


Eur J Med Chem 151: 777-796 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.024
BindingDB Entry DOI: 10.7270/Q20R9RZ8
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
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


(Homo sapiens (Human))
BDBM50179250
PNG
(CHEMBL3813826)
Show SMILES OC(=O)C1=NN(C(=O)\C1=C/c1ccc(cc1)N(CCC#N)CCC#N)c1ccc(cc1)S(O)(=O)=O |t:3|
Show InChI InChI=1S/C23H19N5O6S/c24-11-1-13-27(14-2-12-25)17-5-3-16(4-6-17)15-20-21(23(30)31)26-28(22(20)29)18-7-9-19(10-8-18)35(32,33)34/h3-10,15H,1-2,13-14H2,(H,30,31)(H,32,33,34)/b20-15-
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n/an/a 3.50E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate after 15 mins by PAGE method


Bioorg Med Chem Lett 26: 3232-3236 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.065
BindingDB Entry DOI: 10.7270/Q22809HF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 [E242G,S244A,Q278R,I281T,K282R,R316G,P318T,Y321C]


(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/a7.5n/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 (Human))
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/a7.5n/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 [E242G,S244A,Q278R,I281T,K282R,R316G,P318T,Y321CH323L]


(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/a7.5n/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 (Human))
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 (Human))
BDBM50179184
PNG
(CHEMBL264425)
Show SMILES OC(=O)C(CSSCC(NC(=O)c1ccccc1)C(O)=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C20H20N2O6S2/c23-17(13-7-3-1-4-8-13)21-15(19(25)26)11-29-30-12-16(20(27)28)22-18(24)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate after 15 mins by PAGE method


Bioorg Med Chem Lett 26: 3232-3236 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.065
BindingDB Entry DOI: 10.7270/Q22809HF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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


(Danio rerio)
BDBM50179250
PNG
(CHEMBL3813826)
Show SMILES OC(=O)C1=NN(C(=O)\C1=C/c1ccc(cc1)N(CCC#N)CCC#N)c1ccc(cc1)S(O)(=O)=O |t:3|
Show InChI InChI=1S/C23H19N5O6S/c24-11-1-13-27(14-2-12-25)17-5-3-16(4-6-17)15-20-21(23(30)31)26-28(22(20)29)18-7-9-19(10-8-18)35(32,33)34/h3-10,15H,1-2,13-14H2,(H,30,31)(H,32,33,34)/b20-15-
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n/an/a 5.20E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of zebra fish recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate after 15 mins by PAGE method


Bioorg Med Chem Lett 26: 3232-3236 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.065
BindingDB Entry DOI: 10.7270/Q22809HF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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
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