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PubMed code 27070999

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
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))
BDBM50172715
PNG
(CHEMBL3808646)
Show SMILES Cl.Cl.NCCCn1c2-c3ccccc3C(=O)c2c2cnccc2c1=O
Show InChI InChI=1S/C18H15N3O2.2ClH/c19-7-3-9-21-16-11-4-1-2-5-12(11)17(22)15(16)14-10-20-8-6-13(14)18(21)23;;/h1-2,4-6,8,10H,3,7,9,19H2;2*1H
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n/an/a 1.90E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172712
PNG
(CHEMBL3810182)
Show SMILES Cl.Cl.NCCCn1c2-c3ccccc3C(=O)c2c2ccncc2c1=O
Show InChI InChI=1S/C18H15N3O2.2ClH/c19-7-3-9-21-16-12-4-1-2-5-13(12)17(22)15(16)11-6-8-20-10-14(11)18(21)23;;/h1-2,4-6,8,10H,3,7,9,19H2;2*1H
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n/an/a 3.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172717
PNG
(CHEMBL3809043)
Show SMILES CN(C)CCCn1c2-c3ccccc3C(=O)c2c2cnccc2c1=O
Show InChI InChI=1S/C20H19N3O2/c1-22(2)10-5-11-23-18-13-6-3-4-7-14(13)19(24)17(18)16-12-21-9-8-15(16)20(23)25/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 3.70E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172725
PNG
(CHEMBL3809706)
Show SMILES Cl.Cl.NCCCn1c2-c3ccccc3C(=O)c2c2ncccc2c1=O
Show InChI InChI=1S/C18H15N3O2.2ClH/c19-8-4-10-21-16-11-5-1-2-6-12(11)17(22)14(16)15-13(18(21)23)7-3-9-20-15;;/h1-3,5-7,9H,4,8,10,19H2;2*1H
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n/an/a 4.30E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172724
PNG
(CHEMBL3809831)
Show SMILES Cl.Cl.NCCCn1c2-c3ccccc3C(=O)c2c2cccnc2c1=O
Show InChI InChI=1S/C18H15N3O2.2ClH/c19-8-4-10-21-16-11-5-1-2-6-12(11)17(22)14(16)13-7-3-9-20-15(13)18(21)23;;/h1-3,5-7,9H,4,8,10,19H2;2*1H
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n/an/a>6.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172717
PNG
(CHEMBL3809043)
Show SMILES CN(C)CCCn1c2-c3ccccc3C(=O)c2c2cnccc2c1=O
Show InChI InChI=1S/C20H19N3O2/c1-22(2)10-5-11-23-18-13-6-3-4-7-14(13)19(24)17(18)16-12-21-9-8-15(16)20(23)25/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 6.30E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50090918
PNG
(CHEMBL3581877)
Show SMILES CN(C)CCCn1c2-c3ccccc3C(=O)c2c2ccncc2c1=O
Show InChI InChI=1S/C20H19N3O2/c1-22(2)10-5-11-23-18-14-6-3-4-7-15(14)19(24)17(18)13-8-9-21-12-16(13)20(23)25/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 6.30E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50090918
PNG
(CHEMBL3581877)
Show SMILES CN(C)CCCn1c2-c3ccccc3C(=O)c2c2ccncc2c1=O
Show InChI InChI=1S/C20H19N3O2/c1-22(2)10-5-11-23-18-14-6-3-4-7-15(14)19(24)17(18)13-8-9-21-12-16(13)20(23)25/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 8.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172685
PNG
(CHEMBL3809255)
Show SMILES CN(C)CCCn1c2-c3ccccc3C(=O)c2c2ncccc2c1=O
Show InChI InChI=1S/C20H19N3O2/c1-22(2)11-6-12-23-18-13-7-3-4-8-14(13)19(24)16(18)17-15(20(23)25)9-5-10-21-17/h3-5,7-10H,6,11-12H2,1-2H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172711
PNG
(CHEMBL3808575)
Show SMILES O=C1c2ccccc2-c2c1c1cccnc1c(=O)n2CCCN1CCOCC1
Show InChI InChI=1S/C22H21N3O3/c26-21-16-6-2-1-5-15(16)20-18(21)17-7-3-8-23-19(17)22(27)25(20)10-4-9-24-11-13-28-14-12-24/h1-3,5-8H,4,9-14H2
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172715
PNG
(CHEMBL3808646)
Show SMILES Cl.Cl.NCCCn1c2-c3ccccc3C(=O)c2c2cnccc2c1=O
Show InChI InChI=1S/C18H15N3O2.2ClH/c19-7-3-9-21-16-11-4-1-2-5-12(11)17(22)15(16)14-10-20-8-6-13(14)18(21)23;;/h1-2,4-6,8,10H,3,7,9,19H2;2*1H
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n/an/a 1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172718
PNG
(CHEMBL3808668)
Show SMILES O=C1c2ccccc2-c2c1c1cnccc1c(=O)n2CCCn1ccnc1
Show InChI InChI=1S/C21H16N4O2/c26-20-15-5-2-1-4-14(15)19-18(20)17-12-22-7-6-16(17)21(27)25(19)10-3-9-24-11-8-23-13-24/h1-2,4-8,11-13H,3,9-10H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172498
PNG
(CHEMBL3810067)
Show SMILES O=C1c2ccccc2-c2c1c1ncccc1c(=O)n2CCCN1CCOCC1
Show InChI InChI=1S/C22H21N3O3/c26-21-16-6-2-1-5-15(16)20-18(21)19-17(7-3-8-23-19)22(27)25(20)10-4-9-24-11-13-28-14-12-24/h1-3,5-8H,4,9-14H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172722
PNG
(CHEMBL3581878)
Show SMILES O=C1c2ccccc2-c2c1c1ccncc1c(=O)n2CCCn1ccnc1
Show InChI InChI=1S/C21H16N4O2/c26-20-16-5-2-1-4-15(16)19-18(20)14-6-7-22-12-17(14)21(27)25(19)10-3-9-24-11-8-23-13-24/h1-2,4-8,11-13H,3,9-10H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172498
PNG
(CHEMBL3810067)
Show SMILES O=C1c2ccccc2-c2c1c1ncccc1c(=O)n2CCCN1CCOCC1
Show InChI InChI=1S/C22H21N3O3/c26-21-16-6-2-1-5-15(16)20-18(21)19-17(7-3-8-23-19)22(27)25(20)10-4-9-24-11-13-28-14-12-24/h1-3,5-8H,4,9-14H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172718
PNG
(CHEMBL3808668)
Show SMILES O=C1c2ccccc2-c2c1c1cnccc1c(=O)n2CCCn1ccnc1
Show InChI InChI=1S/C21H16N4O2/c26-20-15-5-2-1-4-14(15)19-18(20)17-12-22-7-6-16(17)21(27)25(19)10-3-9-24-11-8-23-13-24/h1-2,4-8,11-13H,3,9-10H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172710
PNG
(CHEMBL3809703)
Show SMILES O=C1c2ccccc2-c2c1c1cccnc1c(=O)n2CCCn1ccnc1
Show InChI InChI=1S/C21H16N4O2/c26-20-15-6-2-1-5-14(15)19-17(20)16-7-3-8-23-18(16)21(27)25(19)11-4-10-24-12-9-22-13-24/h1-3,5-9,12-13H,4,10-11H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172694
PNG
(CHEMBL3809626)
Show SMILES OC[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2cccnc2c1=O
Show InChI InChI=1S/C18H14N2O4/c21-9-10(22)8-20-16-11-4-1-2-5-12(11)17(23)14(16)13-6-3-7-19-15(13)18(20)24/h1-7,10,21-22H,8-9H2/t10-/m0/s1
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172705
PNG
(CHEMBL3809424)
Show SMILES CN(C)CCCn1c2-c3ccccc3C(=O)c2c2cccnc2c1=O
Show InChI InChI=1S/C20H19N3O2/c1-22(2)11-6-12-23-18-13-7-3-4-8-14(13)19(24)16(18)15-9-5-10-21-17(15)20(23)25/h3-5,7-10H,6,11-12H2,1-2H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172692
PNG
(CHEMBL3809688)
Show SMILES OC[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2ncccc2c1=O
Show InChI InChI=1S/C18H14N2O4/c21-9-10(22)8-20-16-11-4-1-2-5-12(11)17(23)14(16)15-13(18(20)24)6-3-7-19-15/h1-7,10,21-22H,8-9H2/t10-/m0/s1
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172654
PNG
(CHEMBL3809052)
Show SMILES O=C1c2ccccc2-c2c1c1ncccc1c(=O)n2CCCn1ccnc1
Show InChI InChI=1S/C21H16N4O2/c26-20-15-6-2-1-5-14(15)19-17(20)18-16(7-3-8-23-18)21(27)25(19)11-4-10-24-12-9-22-13-24/h1-3,5-9,12-13H,4,10-11H2
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172713
PNG
(CHEMBL3809548)
Show SMILES OC[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2ccncc2c1=O
Show InChI InChI=1S/C18H14N2O4/c21-9-10(22)8-20-16-12-3-1-2-4-13(12)17(23)15(16)11-5-6-19-7-14(11)18(20)24/h1-7,10,21-22H,8-9H2/t10-/m0/s1
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n/an/a 1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172716
PNG
(CHEMBL3808629)
Show SMILES OC[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2cnccc2c1=O
Show InChI InChI=1S/C18H14N2O4/c21-9-10(22)8-20-16-11-3-1-2-4-12(11)17(23)15(16)14-7-19-6-5-13(14)18(20)24/h1-7,10,21-22H,8-9H2/t10-/m0/s1
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172710
PNG
(CHEMBL3809703)
Show SMILES O=C1c2ccccc2-c2c1c1cccnc1c(=O)n2CCCn1ccnc1
Show InChI InChI=1S/C21H16N4O2/c26-20-15-6-2-1-5-14(15)19-17(20)16-7-3-8-23-18(16)21(27)25(19)11-4-10-24-12-9-22-13-24/h1-3,5-9,12-13H,4,10-11H2
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172722
PNG
(CHEMBL3581878)
Show SMILES O=C1c2ccccc2-c2c1c1ccncc1c(=O)n2CCCn1ccnc1
Show InChI InChI=1S/C21H16N4O2/c26-20-16-5-2-1-4-15(16)19-18(20)14-6-7-22-12-17(14)21(27)25(19)10-3-9-24-11-8-23-13-24/h1-2,4-8,11-13H,3,9-10H2
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172685
PNG
(CHEMBL3809255)
Show SMILES CN(C)CCCn1c2-c3ccccc3C(=O)c2c2ncccc2c1=O
Show InChI InChI=1S/C20H19N3O2/c1-22(2)11-6-12-23-18-13-7-3-4-8-14(13)19(24)16(18)17-15(20(23)25)9-5-10-21-17/h3-5,7-10H,6,11-12H2,1-2H3
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172723
PNG
(CHEMBL3581876)
Show SMILES O=C1c2ccccc2-c2c1c1ccncc1c(=O)n2CCCN1CCOCC1
Show InChI InChI=1S/C22H21N3O3/c26-21-17-5-2-1-4-16(17)20-19(21)15-6-7-23-14-18(15)22(27)25(20)9-3-8-24-10-12-28-13-11-24/h1-2,4-7,14H,3,8-13H2
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172713
PNG
(CHEMBL3809548)
Show SMILES OC[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2ccncc2c1=O
Show InChI InChI=1S/C18H14N2O4/c21-9-10(22)8-20-16-12-3-1-2-4-13(12)17(23)15(16)11-5-6-19-7-14(11)18(20)24/h1-7,10,21-22H,8-9H2/t10-/m0/s1
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172712
PNG
(CHEMBL3810182)
Show SMILES Cl.Cl.NCCCn1c2-c3ccccc3C(=O)c2c2ccncc2c1=O
Show InChI InChI=1S/C18H15N3O2.2ClH/c19-7-3-9-21-16-12-4-1-2-5-13(12)17(22)15(16)11-6-8-20-10-14(11)18(21)23;;/h1-2,4-6,8,10H,3,7,9,19H2;2*1H
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n/an/a 1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172705
PNG
(CHEMBL3809424)
Show SMILES CN(C)CCCn1c2-c3ccccc3C(=O)c2c2cccnc2c1=O
Show InChI InChI=1S/C20H19N3O2/c1-22(2)11-6-12-23-18-13-7-3-4-8-14(13)19(24)16(18)15-9-5-10-21-17(15)20(23)25/h3-5,7-10H,6,11-12H2,1-2H3
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n/an/a 1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172694
PNG
(CHEMBL3809626)
Show SMILES OC[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2cccnc2c1=O
Show InChI InChI=1S/C18H14N2O4/c21-9-10(22)8-20-16-11-4-1-2-5-12(11)17(23)14(16)13-6-3-7-19-15(13)18(20)24/h1-7,10,21-22H,8-9H2/t10-/m0/s1
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172692
PNG
(CHEMBL3809688)
Show SMILES OC[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2ncccc2c1=O
Show InChI InChI=1S/C18H14N2O4/c21-9-10(22)8-20-16-11-4-1-2-5-12(11)17(23)14(16)15-13(18(20)24)6-3-7-19-15/h1-7,10,21-22H,8-9H2/t10-/m0/s1
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172724
PNG
(CHEMBL3809831)
Show SMILES Cl.Cl.NCCCn1c2-c3ccccc3C(=O)c2c2cccnc2c1=O
Show InChI InChI=1S/C18H15N3O2.2ClH/c19-8-4-10-21-16-11-5-1-2-6-12(11)17(22)14(16)13-7-3-9-20-15(13)18(21)23;;/h1-3,5-7,9H,4,8,10,19H2;2*1H
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172711
PNG
(CHEMBL3808575)
Show SMILES O=C1c2ccccc2-c2c1c1cccnc1c(=O)n2CCCN1CCOCC1
Show InChI InChI=1S/C22H21N3O3/c26-21-16-6-2-1-5-15(16)20-18(21)17-7-3-8-23-19(17)22(27)25(20)10-4-9-24-11-13-28-14-12-24/h1-3,5-8H,4,9-14H2
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172716
PNG
(CHEMBL3808629)
Show SMILES OC[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2cnccc2c1=O
Show InChI InChI=1S/C18H14N2O4/c21-9-10(22)8-20-16-11-3-1-2-4-12(11)17(23)15(16)14-7-19-6-5-13(14)18(20)24/h1-7,10,21-22H,8-9H2/t10-/m0/s1
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172723
PNG
(CHEMBL3581876)
Show SMILES O=C1c2ccccc2-c2c1c1ccncc1c(=O)n2CCCN1CCOCC1
Show InChI InChI=1S/C22H21N3O3/c26-21-17-5-2-1-4-16(17)20-19(21)15-6-7-23-14-18(15)22(27)25(20)9-3-8-24-10-12-28-13-11-24/h1-2,4-7,14H,3,8-13H2
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172719
PNG
(CHEMBL3810072)
Show SMILES O=C1c2ccccc2-c2c1c1cnccc1c(=O)n2CCCN1CCOCC1
Show InChI InChI=1S/C22H21N3O3/c26-21-16-5-2-1-4-15(16)20-19(21)18-14-23-7-6-17(18)22(27)25(20)9-3-8-24-10-12-28-13-11-24/h1-2,4-7,14H,3,8-13H2
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172719
PNG
(CHEMBL3810072)
Show SMILES O=C1c2ccccc2-c2c1c1cnccc1c(=O)n2CCCN1CCOCC1
Show InChI InChI=1S/C22H21N3O3/c26-21-16-5-2-1-4-15(16)20-19(21)18-14-23-7-6-17(18)22(27)25(20)9-3-8-24-10-12-28-13-11-24/h1-2,4-7,14H,3,8-13H2
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50172654
PNG
(CHEMBL3809052)
Show SMILES O=C1c2ccccc2-c2c1c1ncccc1c(=O)n2CCCn1ccnc1
Show InChI InChI=1S/C21H16N4O2/c26-20-15-6-2-1-5-14(15)19-17(20)18-16(7-3-8-23-18)21(27)25(19)11-4-10-24-12-9-22-13-24/h1-3,5-9,12-13H,4,10-11H2
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins b...


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50172725
PNG
(CHEMBL3809706)
Show SMILES Cl.Cl.NCCCn1c2-c3ccccc3C(=O)c2c2ncccc2c1=O
Show InChI InChI=1S/C18H15N3O2.2ClH/c19-8-4-10-21-16-11-5-1-2-6-12(11)17(22)14(16)15-13(18(21)23)7-3-9-20-15;;/h1-3,5-7,9H,4,8,10,19H2;2*1H
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE


J Med Chem 59: 3840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00003
BindingDB Entry DOI: 10.7270/Q2959KFD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%