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Found 770 hits Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 2'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50008923
PNG
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
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n/an/a 0n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using 3'-labeled alpha-[32P]-cordycepin as substrate after 15 mins


J Med Chem 60: 5364-5376 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01870
BindingDB Entry DOI: 10.7270/Q290266B
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437709
PNG
(US10617706, Example 143)
Show SMILES OB(O)c1cccc(c1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H16BClN4O4/c26-17-6-8-18(9-7-17)30-23(31)20-11-15-5-4-14(13-27)10-21(15)29(22(20)28-24(30)32)19-3-1-2-16(12-19)25(33)34/h1-12,22,33-34H,(H,28,32)
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n/an/a 3.85n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437686
PNG
(US10617706, Example 120)
Show SMILES OB(O)c1cccc(Oc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1
Show InChI InChI=1S/C24H17BN4O5/c26-13-14-4-5-15-11-20-22(27-24(31)28-23(20)30)29(21(15)10-14)17-6-8-18(9-7-17)34-19-3-1-2-16(12-19)25(32)33/h1-12,22,32-33H,(H2,27,28,30,31)
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n/an/a 5.01n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437707
PNG
(US10617706, Example 141)
Show SMILES CS(=O)(=O)Nc1cccc(c1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H18ClN5O4S/c1-36(34,35)29-18-3-2-4-20(13-18)30-22-11-15(14-27)5-6-16(22)12-21-23(30)28-25(33)31(24(21)32)19-9-7-17(26)8-10-19/h2-13,23,29H,1H3,(H,28,33)
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n/an/a 6.09n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521692
PNG
(CHEMBL4441013)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)cc1)c2=O)C#N
Show InChI InChI=1S/C25H16ClN5O4S/c1-36(34,35)29-18-3-2-4-20(13-18)30-22-11-15(14-27)5-6-16(22)12-21-23(30)28-25(33)31(24(21)32)19-9-7-17(26)8-10-19/h2-13,29H,1H3
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n/an/a 6.10n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437708
PNG
(US10617706, Example 142)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H18ClN5O4S/c1-36(34,35)29-18-6-10-19(11-7-18)30-22-12-15(14-27)2-3-16(22)13-21-23(30)28-25(33)31(24(21)32)20-8-4-17(26)5-9-20/h2-13,23,29H,1H3,(H,28,33)
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n/an/a 6.49n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521699
PNG
(CHEMBL4572376)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)cc1)c2=O)C#N
Show InChI InChI=1S/C25H16ClN5O4S/c1-36(34,35)29-18-6-10-19(11-7-18)30-22-12-15(14-27)2-3-16(22)13-21-23(30)28-25(33)31(24(21)32)20-8-4-17(26)5-9-20/h2-13,29H,1H3
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n/an/a 6.5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437703
PNG
(US10617706, Example 137)
Show SMILES Oc1cccc(c1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H15ClN4O3/c25-16-6-8-17(9-7-16)29-23(31)20-11-15-5-4-14(13-26)10-21(15)28(22(20)27-24(29)32)18-2-1-3-19(30)12-18/h1-12,22,30H,(H,27,32)
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n/an/a 7.25n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521689
PNG
(CHEMBL4436202)
Show SMILES Oc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)cc1)c2=O)C#N
Show InChI InChI=1S/C24H13ClN4O3/c25-16-6-8-17(9-7-16)29-23(31)20-11-15-5-4-14(13-26)10-21(15)28(22(20)27-24(29)32)18-2-1-3-19(30)12-18/h1-12,30H
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n/an/a 7.30n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437685
PNG
(US10617706, Example 119)
Show SMILES CC1(C)OB(OC1(C)C)c1cccc(Oc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1
Show InChI InChI=1S/C30H27BN4O5/c1-29(2)30(3,4)40-31(39-29)20-6-5-7-23(16-20)38-22-12-10-21(11-13-22)35-25-14-18(17-32)8-9-19(25)15-24-26(35)33-28(37)34-27(24)36/h5-16,26H,1-4H3,(H2,33,34,36,37)
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n/an/a 8.28n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437705
PNG
(US10617706, Example 139)
Show SMILES Oc1cccc(c1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H14Cl2N4O3/c25-19-7-6-16(11-20(19)26)30-23(32)18-9-14-5-4-13(12-27)8-21(14)29(22(18)28-24(30)33)15-2-1-3-17(31)10-15/h1-11,22,31H,(H,28,33)
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n/an/a 13.6n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521691
PNG
(CHEMBL4587441)
Show SMILES Oc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)c(Cl)c1)c2=O)C#N
Show InChI InChI=1S/C24H12Cl2N4O3/c25-19-7-6-16(11-20(19)26)30-23(32)18-9-14-5-4-13(12-27)8-21(14)29(22(18)28-24(30)33)15-2-1-3-17(31)10-15/h1-11,31H
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n/an/a 14n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437704
PNG
(US10617706, Example 138)
Show SMILES Oc1cccc(c1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1cccc(Cl)c1
Show InChI InChI=1S/C24H15ClN4O3/c25-16-3-1-4-17(11-16)29-23(31)20-10-15-8-7-14(13-26)9-21(15)28(22(20)27-24(29)32)18-5-2-6-19(30)12-18/h1-12,22,30H,(H,27,32)
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n/an/a 19.8n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521690
PNG
(CHEMBL4520052)
Show SMILES Oc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1cccc(Cl)c1)c2=O)C#N
Show InChI InChI=1S/C24H13ClN4O3/c25-16-3-1-4-17(11-16)29-23(31)20-10-15-8-7-14(13-26)9-21(15)28(22(20)27-24(29)32)18-5-2-6-19(30)12-18/h1-12,30H
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n/an/a 20n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
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 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 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/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))
BDBM437694
PNG
(US10617706, Example 128)
Show SMILES Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H15ClN4O3/c25-16-3-5-18(6-4-16)29-23(31)20-12-15-2-1-14(13-26)11-21(15)28(22(20)27-24(29)32)17-7-9-19(30)10-8-17/h1-12,22,30H,(H,27,32)
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n/an/a 32.8n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

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))
BDBM50521697
PNG
(CHEMBL4468174)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)cc1)c2=O)C#N
Show InChI InChI=1S/C24H13ClN4O3/c25-16-3-5-18(6-4-16)29-23(31)20-12-15-2-1-14(13-26)11-21(15)28(22(20)27-24(29)32)17-7-9-19(30)10-8-17/h1-12,30H
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n/an/a 33n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521687
PNG
(CHEMBL4560735)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccccc1)c2=O)C#N
Show InChI InChI=1S/C24H14N4O3/c25-14-15-6-7-16-13-20-22(27(21(16)12-15)18-8-10-19(29)11-9-18)26-24(31)28(23(20)30)17-4-2-1-3-5-17/h1-13,29H
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n/an/a 33n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437692
PNG
(US10617706, Example 126)
Show SMILES Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccccc1
Show InChI InChI=1S/C24H16N4O3/c25-14-15-6-7-16-13-20-22(27(21(16)12-15)18-8-10-19(29)11-9-18)26-24(31)28(23(20)30)17-4-2-1-3-5-17/h1-13,22,29H,(H,26,31)
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n/an/a 33.1n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521698
PNG
(CHEMBL4555612)
Show SMILES NC(=O)c1cccc(c1)-n1c(=O)nc2n(-c3ccc(O)cc3)c3cc(ccc3cc2c1=O)C#N
Show InChI InChI=1S/C25H15N5O4/c26-13-14-4-5-15-12-20-23(29(21(15)10-14)17-6-8-19(31)9-7-17)28-25(34)30(24(20)33)18-3-1-2-16(11-18)22(27)32/h1-12,31H,(H2,27,32)
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n/an/a 35n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437697
PNG
(US10617706, Example 131)
Show SMILES NC(=O)c1cccc(c1)N1C(=O)NC2N(c3ccc(O)cc3)c3cc(ccc3C=C2C1=O)C#N
Show InChI InChI=1S/C25H17N5O4/c26-13-14-4-5-15-12-20-23(29(21(15)10-14)17-6-8-19(31)9-7-17)28-25(34)30(24(20)33)18-3-1-2-16(11-18)22(27)32/h1-12,23,31H,(H2,27,32)(H,28,34)
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n/an/a 35n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437696
PNG
(US10617706, Example 130)
Show SMILES COC(=O)c1cccc(c1)N1C(=O)NC2N(c3ccc(O)cc3)c3cc(ccc3C=C2C1=O)C#N
Show InChI InChI=1S/C26H18N4O5/c1-35-25(33)17-3-2-4-19(12-17)30-24(32)21-13-16-6-5-15(14-27)11-22(16)29(23(21)28-26(30)34)18-7-9-20(31)10-8-18/h2-13,23,31H,1H3,(H,28,34)
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n/an/a 38n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521678
PNG
(CHEMBL4521151)
Show SMILES COC(=O)c1cccc(c1)-n1c(=O)nc2n(-c3ccc(O)cc3)c3cc(ccc3cc2c1=O)C#N
Show InChI InChI=1S/C26H16N4O5/c1-35-25(33)17-3-2-4-19(12-17)30-24(32)21-13-16-6-5-15(14-27)11-22(16)29(23(21)28-26(30)34)18-7-9-20(31)10-8-18/h2-13,31H,1H3
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n/an/a 38n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437689
PNG
(US10617706, Example 123)
Show SMILES OB(O)c1cccc(COc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1
Show InChI InChI=1S/C25H19BN4O5/c27-13-15-4-5-17-12-21-23(28-25(32)29-24(21)31)30(22(17)11-15)19-6-8-20(9-7-19)35-14-16-2-1-3-18(10-16)26(33)34/h1-12,23,33-34H,14H2,(H2,28,29,31,32)
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n/an/a 39n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

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))
BDBM50518351
PNG
(CHEMBL4470500)
Show SMILES NC1=CC(N)=C2C=CC(=O)N=C2C1=O
Show InChI InChI=1S/C9H7N3O2/c10-5-3-6(11)9(14)8-4(5)1-2-7(13)12-8/h1-3H,10-11H2
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n/an/a 40n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


Bioorg Med Chem Lett 29: 257-261 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.044
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438848
PNG
(CHEMBL2420480)
Show SMILES O=c1nc2n(-c3cccc(c3)-c3nnn[nH]3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-10-4-5-11-8-14-17(21-19(29)22-18(14)28)27(15(11)6-10)13-3-1-2-12(7-13)16-23-25-26-24-16/h1-8H,(H,22,28,29)(H,23,24,25,26)
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n/an/a 41n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438864
PNG
(CHEMBL2420507)
Show SMILES Oc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H10N4O3/c19-9-10-4-5-11-7-14-16(20-18(25)21-17(14)24)22(15(11)6-10)12-2-1-3-13(23)8-12/h1-8,23H,(H,21,24,25)
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n/an/a 42n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437687
PNG
(US10617706, Example 121)
Show SMILES CC1(C)OB(OC1(C)C)c1cccc(COc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1
Show InChI InChI=1S/C31H29BN4O5/c1-30(2)31(3,4)41-32(40-30)22-7-5-6-20(14-22)18-39-24-12-10-23(11-13-24)36-26-15-19(17-33)8-9-21(26)16-25-27(36)34-29(38)35-28(25)37/h5-16,27H,18H2,1-4H3,(H2,34,35,37,38)
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n/an/a 47n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437699
PNG
(US10617706, Example 133)
Show SMILES Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(NC(=O)Oc2ccccc2)cc1
Show InChI InChI=1S/C31H21N5O5/c32-18-19-6-7-20-17-26-28(35(27(20)16-19)22-12-14-24(37)15-13-22)34-30(39)36(29(26)38)23-10-8-21(9-11-23)33-31(40)41-25-4-2-1-3-5-25/h1-17,28,37H,(H,33,40)(H,34,39)
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n/an/a 59n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

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))
BDBM437695
PNG
(US10617706, Example 129)
Show SMILES Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(Br)cc1
Show InChI InChI=1S/C24H15BrN4O3/c25-16-3-5-18(6-4-16)29-23(31)20-12-15-2-1-14(13-26)11-21(15)28(22(20)27-24(29)32)17-7-9-19(30)10-8-17/h1-12,22,30H,(H,27,32)
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n/an/a 64.7n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521701
PNG
(CHEMBL4457155)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Br)cc1)c2=O)C#N
Show InChI InChI=1S/C24H13BrN4O3/c25-16-3-5-18(6-4-16)29-23(31)20-12-15-2-1-14(13-26)11-21(15)28(22(20)27-24(29)32)17-7-9-19(30)10-8-17/h1-12,30H
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n/an/a 65n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521688
PNG
(CHEMBL4546104)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(F)cc1)c2=O)C#N
Show InChI InChI=1S/C24H13FN4O3/c25-16-3-5-18(6-4-16)29-23(31)20-12-15-2-1-14(13-26)11-21(15)28(22(20)27-24(29)32)17-7-9-19(30)10-8-17/h1-12,30H
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n/an/a 70n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437693
PNG
(US10617706, Example 127)
Show SMILES Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C24H15FN4O3/c25-16-3-5-18(6-4-16)29-23(31)20-12-15-2-1-14(13-26)11-21(15)28(22(20)27-24(29)32)17-7-9-19(30)10-8-17/h1-12,22,30H,(H,27,32)
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n/an/a 70.4n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437698
PNG
(US10617706, Example 132)
Show SMILES Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1cccc(NC(=O)Oc2ccccc2)c1
Show InChI InChI=1S/C31H21N5O5/c32-18-19-9-10-20-16-26-28(35(27(20)15-19)22-11-13-24(37)14-12-22)34-30(39)36(29(26)38)23-6-4-5-21(17-23)33-31(40)41-25-7-2-1-3-8-25/h1-17,28,37H,(H,33,40)(H,34,39)
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n/an/a 119n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437702
PNG
(US10617706, Example 136)
Show SMILES Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(CNP(=O)(Oc2ccccc2)Oc2ccccc2)cc1
Show InChI InChI=1S/C37H28N5O6P/c38-23-26-11-14-27-22-33-35(41(34(27)21-26)28-17-19-30(43)20-18-28)40-37(45)42(36(33)44)29-15-12-25(13-16-29)24-39-49(46,47-31-7-3-1-4-8-31)48-32-9-5-2-6-10-32/h1-22,35,43H,24H2,(H,39,46)(H,40,45)
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n/an/a 119n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521702
PNG
(CHEMBL4518508)
Show SMILES OC(=O)c1cccc(COc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)c1
Show InChI InChI=1S/C26H16N4O5/c27-13-15-4-5-17-12-21-23(28-26(34)29-24(21)31)30(22(17)11-15)19-6-8-20(9-7-19)35-14-16-2-1-3-18(10-16)25(32)33/h1-12H,14H2,(H,32,33)(H,29,31,34)
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n/an/a 130n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437683
PNG
(US10617706, Example 117)
Show SMILES OC(=O)c1cccc(COc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1
Show InChI InChI=1S/C26H18N4O5/c27-13-15-4-5-17-12-21-23(28-26(34)29-24(21)31)30(22(17)11-15)19-6-8-20(9-7-19)35-14-16-2-1-3-18(10-16)25(32)33/h1-12,23H,14H2,(H,32,33)(H2,28,29,31,34)
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n/an/a 131n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

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


(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/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521683
PNG
(CHEMBL4576353)
Show SMILES COC(=O)c1cccc(COc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)c1
Show InChI InChI=1S/C27H18N4O5/c1-35-26(33)19-4-2-3-17(11-19)15-36-21-9-7-20(8-10-21)31-23-12-16(14-28)5-6-18(23)13-22-24(31)29-27(34)30-25(22)32/h2-13H,15H2,1H3,(H,30,32,34)
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n/an/a 150n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437682
PNG
(US10617706, Example 116)
Show SMILES COC(=O)c1cccc(COc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1
Show InChI InChI=1S/C27H20N4O5/c1-35-26(33)19-4-2-3-17(11-19)15-36-21-9-7-20(8-10-21)31-23-12-16(14-28)5-6-18(23)13-22-24(31)29-27(34)30-25(22)32/h2-13,24H,15H2,1H3,(H2,29,30,32,34)
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n/an/a 153n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM34905
PNG
(1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazi...)
Show SMILES CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C10H13N5O2/c1-4-5-6-11-7-8(15(3)13-6)12-10(17)14(2)9(7)16/h4-5H2,1-3H3
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n/an/a 161n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
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/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


(Homo sapiens (Human))
BDBM437701
PNG
(US10617706, Example 135)
Show SMILES Oc1ccc(cc1)N1C2NC(=O)N(C(=O)C2=Cc2ccc(cc12)C#N)c1ccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)cc1
Show InChI InChI=1S/C36H26N5O6P/c37-23-24-11-12-25-22-32-34(40(33(25)21-24)27-17-19-29(42)20-18-27)38-36(44)41(35(32)43)28-15-13-26(14-16-28)39-48(45,46-30-7-3-1-4-8-30)47-31-9-5-2-6-10-31/h1-22,34,42H,(H,38,44)(H,39,45)
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n/an/a 185n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM437675
PNG
(US10617706, Example 109 | US10617706, Example 110)
Show SMILES OC(=O)c1cccc(Oc2ccc(cc2)N2C3NC(=O)NC(=O)C3=Cc3ccc(cc23)C#N)c1
Show InChI InChI=1S/C25H16N4O5/c26-13-14-4-5-15-12-20-22(27-25(33)28-23(20)30)29(21(15)10-14)17-6-8-18(9-7-17)34-19-3-1-2-16(11-19)24(31)32/h1-12,22H,(H,31,32)(H2,27,28,30,33)
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n/an/a 186n/an/an/an/an/an/a



REGENTS OF THE UNIVERSITY OF MINNESOTA; THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES

US Patent


Assay Description
The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 μL of compo...


US Patent US10617706 (2020)

More data for this
Ligand-Target Pair
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