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Compile Data Set for Download or QSAR

Found 529 hits of ic50 data for polymerid = 5999   
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))
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=1/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-/s2
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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)

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


(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


(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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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


(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))
BDBM51771
PNG
(1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccn1
Show InChI InChI=1S/C12H10N6O2/c1-17-11(19)8-10(15-12(17)20)18(2)16-9(14-8)7-5-3-4-6-13-7/h3-6H,1-2H3
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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


(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


(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 520n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 5'-Y-TCCGTTGAAGCCTGCTTT-3' as substrate after 60 mins


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM70879
PNG
(4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24N4O4/c1-17-23(26(33)31(29-17)21-9-5-3-6-10-21)25(19-13-15-20(16-14-19)28(35)36)24-18(2)30-32(27(24)34)22-11-7-4-8-12-22/h3-16,25,29-30H,1-2H3,(H,35,36)
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n/an/a 528n/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


(Homo sapiens (Human))
BDBM80987
PNG
(2-chloranyl-3-(4-methylpiperazin-1-yl)naphthalene-...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H15ClN2O2/c1-17-6-8-18(9-7-17)13-12(16)14(19)10-4-2-3-5-11(10)15(13)20/h2-5H,6-9H2,1H3
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n/an/a 581n/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


(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 590n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 5'-Y-TCCGTTGAAGCCTGCTTT-3' as substrate after 60 mins


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438854
PNG
(CHEMBL2420474)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C19H13N5O4S/c1-29(27,28)23-13-3-2-4-14(9-13)24-16-7-11(10-20)5-6-12(16)8-15-17(24)21-19(26)22-18(15)25/h2-9,23H,1H3,(H,22,25,26)
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n/an/a 640n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 5'-Y-TCCGTTGAAGCCTGCTTT-3' as substrate after 60 mins


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM47978
PNG
((NZ)-N-[3-(4-hydroxyanilino)-4-keto-1-naphthyliden...)
Show SMILES Oc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C20H14N2O4S2/c23-14-9-7-13(8-10-14)21-18-12-17(15-4-1-2-5-16(15)20(18)24)22-28(25,26)19-6-3-11-27-19/h1-12,21,23H/b22-17+
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The Scripps Research Institute Molecular Screening Center

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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


(Homo sapiens (Human))
BDBM95464
PNG
(4-[[(4Z)-1-keto-4-(2-thienylsulfonylimino)-2-napht...)
Show SMILES OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C21H14N2O5S2/c24-20-16-5-2-1-4-15(16)17(23-30(27,28)19-6-3-11-29-19)12-18(20)22-14-9-7-13(8-10-14)21(25)26/h1-12,22H,(H,25,26)/b23-17-
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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


(Homo sapiens (Human))
BDBM80754
PNG
(1-amino-8-methoxy-benzo[f]quinazoline-7,10-quinone...)
Show SMILES COC1=CC(=O)c2c(ccc3ncnc(N)c23)C1=O
Show InChI InChI=1S/C13H9N3O3/c1-19-9-4-8(17)10-6(12(9)18)2-3-7-11(10)13(14)16-5-15-7/h2-5H,1H3,(H2,14,15,16)
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The Scripps Research Institute Molecular Screening Center

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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


(Homo sapiens (Human))
BDBM60311
PNG
(2-methyl-4,5-dioxo-3H-benzo[e]indole-1-carboxylic ...)
Show SMILES CCOC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C16H13NO4/c1-3-21-16(20)11-8(2)17-13-12(11)9-6-4-5-7-10(9)14(18)15(13)19/h4-7,17H,3H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

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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


(Homo sapiens (Human))
BDBM81348
PNG
(β-Lapachone (A3) | R115 (Reactive Blue 2) | b...)
Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
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n/an/a 970n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50237809
PNG
(CHEMBL126159)
Show SMILES COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(CCCNCCO)c(=O)c2cc1OC
Show InChI InChI=1S/C24H24N2O7/c1-30-17-8-13-16(11-18(17)31-2)24(29)26(6-3-4-25-5-7-27)22-14-9-19-20(33-12-32-19)10-15(14)23(28)21(13)22/h8-11,25,27H,3-7,12H2,1-2H3
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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 recombinant human Tdp2 assessed as decrease in alpha 32P-cordycepin-3'-labeled DNA breaks after 15 mins by PAGE analysis


J Med Chem 60: 3275-3288 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01565
BindingDB Entry DOI: 10.7270/Q24Q7X72
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50237810
PNG
(CHEMBL4061238)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCC(N)CC2)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C24H25N5O5/c1-34-16-12-19-21(26-13-16)22-20(23(19)30)17-4-3-15(29(32)33)11-18(17)24(31)28(22)8-2-7-27-9-5-14(25)6-10-27/h3-4,11-14H,2,5-10,25H2,1H3
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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 recombinant human Tdp2 assessed as decrease in alpha 32P-cordycepin-3'-labeled DNA breaks after 15 mins by PAGE analysis


J Med Chem 60: 3275-3288 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01565
BindingDB Entry DOI: 10.7270/Q24Q7X72
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM80810
PNG
(7-amino-6-chloro-5,8-diketo-naphthalene-2-sulfonam...)
Show SMILES NC1=C(Cl)C(=O)c2ccc(cc2C1=O)S(N)(=O)=O
Show InChI InChI=1S/C10H7ClN2O4S/c11-7-8(12)10(15)6-3-4(18(13,16)17)1-2-5(6)9(7)14/h1-3H,12H2,(H2,13,16,17)
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n/an/a 1.07E+3n/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


(Homo sapiens (Human))
BDBM64030
PNG
(3-Amino-6,6-dimethyl-2-phenyl-2,8-dihydro-6H-pyran...)
Show SMILES CC1(C)Cc2c(CO1)nn(-c1ccccc1)c(=N)c2C#N
Show InChI InChI=1S/C16H16N4O/c1-16(2)8-12-13(9-17)15(18)20(19-14(12)10-21-16)11-6-4-3-5-7-11/h3-7,18H,8,10H2,1-2H3
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n/an/a 1.27E+3n/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


(Homo sapiens (Human))
BDBM48003
PNG
(2-Methyl-8-morpholin-4-yl-5,6-dioxo-5,6-dihydro-qu...)
Show SMILES COC(=O)c1cc(C)nc2C(=CC(=O)C(=O)c12)N1CCOCC1
Show InChI InChI=1S/C16H16N2O5/c1-9-7-10(16(21)22-2)13-14(17-9)11(8-12(19)15(13)20)18-3-5-23-6-4-18/h7-8H,3-6H2,1-2H3
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n/an/a 1.33E+3n/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


(Homo sapiens (Human))
BDBM50099737
PNG
(2-Amino-phenanthrene-9,10-dione | CHEMBL417727 | U...)
Show SMILES Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2
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n/an/a 1.34E+3n/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


(Homo sapiens (Human))
BDBM48038
PNG
(4-[(E)-[3-(2-methylanilino)-4-oxo-1-naphthalenylid...)
Show SMILES Cc1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H18N2O5S/c1-15-6-2-5-9-20(15)25-22-14-21(18-7-3-4-8-19(18)23(22)27)26-32(30,31)17-12-10-16(11-13-17)24(28)29/h2-14,25H,1H3,(H,28,29)/b26-21+
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n/an/a 1.41E+3n/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


(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 1.45E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 5'-Y-TCCGTTGAAGCCTGCTTT-3' as substrate after 60 mins


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
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 1.51E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 5'-Y-TCCGTTGAAGCCTGCTTT-3' as substrate after 60 mins


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
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))
BDBM33185
PNG
(4-({(4Z)-1-oxo-4-[(phenylsulfonyl)imino]-1,4-dihyd...)
Show SMILES OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C23H16N2O5S/c26-22-19-9-5-4-8-18(19)20(25-31(29,30)17-6-2-1-3-7-17)14-21(22)24-16-12-10-15(11-13-16)23(27)28/h1-14,24H,(H,27,28)/b25-20+
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n/an/a 1.88E+3n/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


(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 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)

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


(Homo sapiens (Human))
BDBM22857
PNG
(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)
Show SMILES O=C1C(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
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n/an/a 1.91E+3n/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


(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)

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


(Homo sapiens (Human))
BDBM50438859
PNG
(CHEMBL2420469)
Show SMILES COc1ccc(cc1O)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C19H12N4O4/c1-27-16-5-4-12(8-15(16)24)23-14-6-10(9-20)2-3-11(14)7-13-17(23)21-19(26)22-18(13)25/h2-8,24H,1H3,(H,22,25,26)
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n/an/a 2.15E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 5'-Y-TCCGTTGAAGCCTGCTTT-3' as substrate after 60 mins


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM48036
PNG
(3-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-keto-2-n...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C25H20N2O5S/c1-2-16-10-12-19(13-11-16)33(31,32)27-22-15-23(24(28)21-9-4-3-8-20(21)22)26-18-7-5-6-17(14-18)25(29)30/h3-15,26H,2H2,1H3,(H,29,30)/b27-22+
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n/an/a 2.20E+3n/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


(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))
BDBM50438868
PNG
(CHEMBL2420503)
Show SMILES Oc1cccc(c1)-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O
Show InChI InChI=1S/C17H10ClN3O3/c18-10-5-4-9-6-13-15(19-17(24)20-16(13)23)21(14(9)7-10)11-2-1-3-12(22)8-11/h1-8,22H,(H,20,23,24)
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n/an/a 2.41E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 5'-Y-TCCGTTGAAGCCTGCTTT-3' as substrate after 60 mins


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM54416
PNG
(4-(4-morpholinyl)naphthalene-1,2-dione | 4-Morphol...)
Show SMILES O=C1C=C(N2CCOCC2)c2ccccc2C1=O
Show InChI InChI=1S/C14H13NO3/c16-13-9-12(15-5-7-18-8-6-15)10-3-1-2-4-11(10)14(13)17/h1-4,9H,5-8H2
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n/an/a 2.55E+3n/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


(Homo sapiens (Human))
BDBM48039
PNG
(3-[[(4E)-4-(2,4-dimethylphenyl)sulfonylimino-1-ket...)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C25H20N2O5S/c1-15-10-11-23(16(2)12-15)33(31,32)27-21-14-22(24(28)20-9-4-3-8-19(20)21)26-18-7-5-6-17(13-18)25(29)30/h3-14,26H,1-2H3,(H,29,30)/b27-21+
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n/an/a 2.58E+3n/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


(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))
BDBM80755
PNG
(6-amino-7-bromo-quinoline-5,8-quinone | 6-amino-7-...)
Show SMILES NC1=C(Br)C(=O)c2ncccc2C1=O
Show InChI InChI=1S/C9H5BrN2O2/c10-5-6(11)8(13)4-2-1-3-12-7(4)9(5)14/h1-3H,11H2
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n/an/a 2.66E+3n/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


(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)

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


(Homo sapiens (Human))
BDBM48028
PNG
(3-[[(4E)-1-keto-4-tosylimino-2-naphthyl]amino]benz...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C24H18N2O5S/c1-15-9-11-18(12-10-15)32(30,31)26-21-14-22(23(27)20-8-3-2-7-19(20)21)25-17-6-4-5-16(13-17)24(28)29/h2-14,25H,1H3,(H,28,29)/b26-21+
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n/an/a 3.18E+3n/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


(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
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