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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'horzmann' and Initial = 'ka'   
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 1


(Homo sapiens (Human))
BDBM50257123
PNG
(CHEMBL4072279)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC2=NCCS2)c(=O)c2cc(Cl)ccc12 |t:19|
Show InChI InChI=1S/C22H19ClN4O3S/c1-30-13-10-16-18(26-11-13)19-17(20(16)28)14-4-3-12(23)9-15(14)21(29)27(19)7-2-5-24-22-25-6-8-31-22/h3-4,9-11H,2,5-8H2,1H3,(H,24,25)
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n/an/a 1.19E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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 1


(Homo sapiens (Human))
BDBM50257089
PNG
(CHEMBL4083140)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCC(O)CC2)c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H24ClN3O4/c1-32-16-12-19-21(26-13-16)22-20(23(19)30)17-4-3-14(25)11-18(17)24(31)28(22)8-2-7-27-9-5-15(29)6-10-27/h3-4,11-13,15,29H,2,5-10H2,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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 1


(Homo sapiens (Human))
BDBM50257106
PNG
(CHEMBL4077196)
Show SMILES CNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C20H18ClN3O3/c1-22-6-3-7-24-18-16(13-5-4-11(21)8-14(13)20(24)26)19(25)15-9-12(27-2)10-23-17(15)18/h4-5,8-10,22H,3,6-7H2,1-2H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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 1


(Homo sapiens (Human))
BDBM50257102
PNG
(CHEMBL4090922)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCNCC2)c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H23ClN4O3/c1-31-15-12-18-20(26-13-15)21-19(22(18)29)16-4-3-14(24)11-17(16)23(30)28(21)8-2-7-27-9-5-25-6-10-27/h3-4,11-13,25H,2,5-10H2,1H3
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n/an/a 2.02E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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 1


(Homo sapiens (Human))
BDBM50257107
PNG
(CHEMBL4079315)
Show SMILES CCNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C21H20ClN3O3/c1-3-23-7-4-8-25-19-17(14-6-5-12(22)9-15(14)21(25)27)20(26)16-10-13(28-2)11-24-18(16)19/h5-6,9-11,23H,3-4,7-8H2,1-2H3
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n/an/a 2.22E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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 1


(Homo sapiens (Human))
BDBM50257120
PNG
(CHEMBL4072940)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCCC2)c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H22ClN3O3/c1-30-15-12-18-20(25-13-15)21-19(22(18)28)16-6-5-14(24)11-17(16)23(29)27(21)10-4-9-26-7-2-3-8-26/h5-6,11-13H,2-4,7-10H2,1H3
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n/an/a 2.75E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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))
BDBM50257123
PNG
(CHEMBL4072279)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC2=NCCS2)c(=O)c2cc(Cl)ccc12 |t:19|
Show InChI InChI=1S/C22H19ClN4O3S/c1-30-13-10-16-18(26-11-13)19-17(20(16)28)14-4-3-12(23)9-15(14)21(29)27(19)7-2-5-24-22-25-6-8-31-22/h3-4,9-11H,2,5-8H2,1H3,(H,24,25)
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n/an/a 3.29E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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 1


(Homo sapiens (Human))
BDBM50257105
PNG
(CHEMBL4064072)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC(C)C)c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H22ClN3O3/c1-12(2)24-7-4-8-26-20-18(15-6-5-13(23)9-16(15)22(26)28)21(27)17-10-14(29-3)11-25-19(17)20/h5-6,9-12,24H,4,7-8H2,1-3H3
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n/an/a 3.33E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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))
BDBM50257101
PNG
(CHEMBL4063586)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC2=NCCS2)c(=O)c2cc(F)ccc12 |t:19|
Show InChI InChI=1S/C22H19FN4O3S/c1-30-13-10-16-18(26-11-13)19-17(20(16)28)14-4-3-12(23)9-15(14)21(29)27(19)7-2-5-24-22-25-6-8-31-22/h3-4,9-11H,2,5-8H2,1H3,(H,24,25)
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n/an/a 6.16E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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))
BDBM50257119
PNG
(CHEMBL4076362)
Show SMILES CCNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(F)cc2c1=O
Show InChI InChI=1S/C21H20FN3O3/c1-3-23-7-4-8-25-19-17(14-6-5-12(22)9-15(14)21(25)27)20(26)16-10-13(28-2)11-24-18(16)19/h5-6,9-11,23H,3-4,7-8H2,1-2H3
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n/an/a 1.04E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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))
BDBM50257104
PNG
(CHEMBL4063011)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCNCC2)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C23H23FN4O3/c1-31-15-12-18-20(26-13-15)21-19(22(18)29)16-4-3-14(24)11-17(16)23(30)28(21)8-2-7-27-9-5-25-6-10-27/h3-4,11-13,25H,2,5-10H2,1H3
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n/an/a 1.07E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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))
BDBM50257124
PNG
(CHEMBL4070873)
Show SMILES CNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(F)cc2c1=O
Show InChI InChI=1S/C20H18FN3O3/c1-22-6-3-7-24-18-16(13-5-4-11(21)8-14(13)20(24)26)19(25)15-9-12(27-2)10-23-17(15)18/h4-5,8-10,22H,3,6-7H2,1-2H3
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n/an/a 1.08E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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 1


(Homo sapiens (Human))
BDBM50257126
PNG
(CHEMBL4101133)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCC(O)CC2)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C24H24FN3O4/c1-32-16-12-19-21(26-13-16)22-20(23(19)30)17-4-3-14(25)11-18(17)24(31)28(22)8-2-7-27-9-5-15(29)6-10-27/h3-4,11-13,15,29H,2,5-10H2,1H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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 1


(Homo sapiens (Human))
BDBM50257127
PNG
(CHEMBL4085641)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC(C)C)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C22H22FN3O3/c1-12(2)24-7-4-8-26-20-18(15-6-5-13(23)9-16(15)22(26)28)21(27)17-10-14(29-3)11-25-19(17)20/h5-6,9-12,24H,4,7-8H2,1-3H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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 1


(Homo sapiens (Human))
BDBM50257124
PNG
(CHEMBL4070873)
Show SMILES CNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(F)cc2c1=O
Show InChI InChI=1S/C20H18FN3O3/c1-22-6-3-7-24-18-16(13-5-4-11(21)8-14(13)20(24)26)19(25)15-9-12(27-2)10-23-17(15)18/h4-5,8-10,22H,3,6-7H2,1-2H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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 1


(Homo sapiens (Human))
BDBM50257125
PNG
(CHEMBL4094373)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCCC2)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C23H22FN3O3/c1-30-15-12-18-20(25-13-15)21-19(22(18)28)16-6-5-14(24)11-17(16)23(29)27(21)10-4-9-26-7-2-3-8-26/h5-6,11-13H,2-4,7-10H2,1H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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))
BDBM50257099
PNG
(CHEMBL4103520)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H17ClN4O3/c1-30-14-10-17-19(25-11-14)20-18(21(17)28)15-4-3-13(23)9-16(15)22(29)27(20)7-2-6-26-8-5-24-12-26/h3-5,8-12H,2,6-7H2,1H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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))
BDBM50257126
PNG
(CHEMBL4101133)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCC(O)CC2)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C24H24FN3O4/c1-32-16-12-19-21(26-13-16)22-20(23(19)30)17-4-3-14(25)11-18(17)24(31)28(22)8-2-7-27-9-5-15(29)6-10-27/h3-4,11-13,15,29H,2,5-10H2,1H3
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PubMed
n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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))
BDBM50257127
PNG
(CHEMBL4085641)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC(C)C)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C22H22FN3O3/c1-12(2)24-7-4-8-26-20-18(15-6-5-13(23)9-16(15)22(26)28)21(27)17-10-14(29-3)11-25-19(17)20/h5-6,9-12,24H,4,7-8H2,1-3H3
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PubMed
n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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))
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 |r|
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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PubMed
n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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))
BDBM50257089
PNG
(CHEMBL4083140)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCC(O)CC2)c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H24ClN3O4/c1-32-16-12-19-21(26-13-16)22-20(23(19)30)17-4-3-14(25)11-18(17)24(31)28(22)8-2-7-27-9-5-15(29)6-10-27/h3-4,11-13,15,29H,2,5-10H2,1H3
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PubMed
n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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 1


(Homo sapiens (Human))
BDBM50257090
PNG
(CHEMBL4072994)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C23H22FN3O4/c1-30-15-12-18-20(25-13-15)21-19(22(18)28)16-4-3-14(24)11-17(16)23(29)27(21)6-2-5-26-7-9-31-10-8-26/h3-4,11-13H,2,5-10H2,1H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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 1


(Homo sapiens (Human))
BDBM50257099
PNG
(CHEMBL4103520)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H17ClN4O3/c1-30-14-10-17-19(25-11-14)20-18(21(17)28)15-4-3-13(23)9-16(15)22(29)27(20)7-2-6-26-8-5-24-12-26/h3-5,8-12H,2,6-7H2,1H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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 1


(Homo sapiens (Human))
BDBM50257100
PNG
(CHEMBL4079995)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C22H17FN4O3/c1-30-14-10-17-19(25-11-14)20-18(21(17)28)15-4-3-13(23)9-16(15)22(29)27(20)7-2-6-26-8-5-24-12-26/h3-5,8-12H,2,6-7H2,1H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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 1


(Homo sapiens (Human))
BDBM50257101
PNG
(CHEMBL4063586)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC2=NCCS2)c(=O)c2cc(F)ccc12 |t:19|
Show InChI InChI=1S/C22H19FN4O3S/c1-30-13-10-16-18(26-11-13)19-17(20(16)28)14-4-3-12(23)9-15(14)21(29)27(19)7-2-5-24-22-25-6-8-31-22/h3-4,9-11H,2,5-8H2,1H3,(H,24,25)
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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 1


(Homo sapiens (Human))
BDBM50257104
PNG
(CHEMBL4063011)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCNCC2)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C23H23FN4O3/c1-31-15-12-18-20(26-13-15)21-19(22(18)29)16-4-3-14(24)11-17(16)23(30)28(21)8-2-7-27-9-5-25-6-10-27/h3-4,11-13,25H,2,5-10H2,1H3
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PubMed
n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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 1


(Homo sapiens (Human))
BDBM50257119
PNG
(CHEMBL4076362)
Show SMILES CCNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(F)cc2c1=O
Show InChI InChI=1S/C21H20FN3O3/c1-3-23-7-4-8-25-19-17(14-6-5-12(22)9-15(14)21(25)27)20(26)16-10-13(28-2)11-24-18(16)19/h5-6,9-11,23H,3-4,7-8H2,1-2H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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 1


(Homo sapiens (Human))
BDBM50257122
PNG
(CHEMBL4099136)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H22ClN3O4/c1-30-15-12-18-20(25-13-15)21-19(22(18)28)16-4-3-14(24)11-17(16)23(29)27(21)6-2-5-26-7-9-31-10-8-26/h3-4,11-13H,2,5-10H2,1H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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 1


(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 |r|
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>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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))
BDBM50257121
PNG
(CHEMBL4068761)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCN(C)CC2)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C24H25FN4O3/c1-27-8-10-28(11-9-27)6-3-7-29-22-20(17-5-4-15(25)12-18(17)24(29)31)23(30)19-13-16(32-2)14-26-21(19)22/h4-5,12-14H,3,6-11H2,1-2H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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))
BDBM50257125
PNG
(CHEMBL4094373)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCCC2)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C23H22FN3O3/c1-30-15-12-18-20(25-13-15)21-19(22(18)28)16-6-5-14(24)11-17(16)23(29)27(21)10-4-9-26-7-2-3-8-26/h5-6,11-13H,2-4,7-10H2,1H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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))
BDBM50257120
PNG
(CHEMBL4072940)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCCC2)c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H22ClN3O3/c1-30-15-12-18-20(25-13-15)21-19(22(18)28)16-6-5-14(24)11-17(16)23(29)27(21)10-4-9-26-7-2-3-8-26/h5-6,11-13H,2-4,7-10H2,1H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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))
BDBM50257107
PNG
(CHEMBL4079315)
Show SMILES CCNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C21H20ClN3O3/c1-3-23-7-4-8-25-19-17(14-6-5-12(22)9-15(14)21(25)27)20(26)16-10-13(28-2)11-24-18(16)19/h5-6,9-11,23H,3-4,7-8H2,1-2H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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))
BDBM50257106
PNG
(CHEMBL4077196)
Show SMILES CNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C20H18ClN3O3/c1-22-6-3-7-24-18-16(13-5-4-11(21)8-14(13)20(24)26)19(25)15-9-12(27-2)10-23-17(15)18/h4-5,8-10,22H,3,6-7H2,1-2H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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))
BDBM50257105
PNG
(CHEMBL4064072)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC(C)C)c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H22ClN3O3/c1-12(2)24-7-4-8-26-20-18(15-6-5-13(23)9-16(15)22(26)28)21(27)17-10-14(29-3)11-25-19(17)20/h5-6,9-12,24H,4,7-8H2,1-3H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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))
BDBM50257102
PNG
(CHEMBL4090922)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCNCC2)c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H23ClN4O3/c1-31-15-12-18-20(26-13-15)21-19(22(18)29)16-4-3-14(24)11-17(16)23(30)28(21)8-2-7-27-9-5-25-6-10-27/h3-4,11-13,25H,2,5-10H2,1H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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))
BDBM50257100
PNG
(CHEMBL4079995)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C22H17FN4O3/c1-30-14-10-17-19(25-11-14)20-18(21(17)28)15-4-3-13(23)9-16(15)22(29)27(20)7-2-6-26-8-5-24-12-26/h3-5,8-12H,2,6-7H2,1H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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 1


(Homo sapiens (Human))
BDBM50257121
PNG
(CHEMBL4068761)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCN(C)CC2)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C24H25FN4O3/c1-27-8-10-28(11-9-27)6-3-7-29-22-20(17-5-4-15(25)12-18(17)24(29)31)23(30)19-13-16(32-2)14-26-21(19)22/h4-5,12-14H,3,6-11H2,1-2H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine 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))
BDBM50257122
PNG
(CHEMBL4099136)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H22ClN3O4/c1-30-15-12-18-20(25-13-15)21-19(22(18)28)16-4-3-14(24)11-17(16)23(29)27(21)6-2-5-26-7-9-31-10-8-26/h3-4,11-13H,2,5-10H2,1H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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))
BDBM50257090
PNG
(CHEMBL4072994)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C23H22FN3O4/c1-30-15-12-18-20(25-13-15)21-19(22(18)28)16-4-3-14(24)11-17(16)23(29)27(21)6-2-5-26-7-9-31-10-8-26/h3-4,11-13H,2,5-10H2,1H3
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PubMed
n/an/a>1.11E+5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and the Purdue Center for Cancer Research, Purdue University , West Lafayette, Indiana 47907, United States.

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