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PubMed code 23259865

Compile data set for download or QSAR
Found 51 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 (TDP1)


(Homo sapiens (Human))
BDBM50158383
PNG
(2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H33BrO5S/c1-26-13-11-19(29)15-17(26)3-8-21-22-9-10-24(27(22,2)14-12-23(21)26)25(30)16-33-34(31,32)20-6-4-18(28)5-7-20/h4-7,15,21-24H,3,8-14,16H2,1-2H3/t21-,22-,23-,24+,26-,27-/m0/s1
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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 Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425045
PNG
(CHEMBL2312896 | CHEMBL2322964 | US9402842, 43)
Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(NCC(O)=O)cc2c1=O
Show InChI InChI=1S/C21H19N3O4/c22-8-3-9-24-19-14-4-1-2-5-15(14)20(27)18(19)13-7-6-12(23-11-17(25)26)10-16(13)21(24)28/h1-2,4-7,10,23H,3,8-9,11,22H2,(H,25,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425086
PNG
(CHEMBL2312906 | US9402842, 84)
Show SMILES COc1ccc-2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc(I)ccc12
Show InChI InChI=1S/C20H17IN2O3/c1-26-12-4-6-14-15(10-12)19(24)17-13-5-3-11(21)9-16(13)20(25)23(18(14)17)8-2-7-22/h3-6,9-10H,2,7-8,22H2,1H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425087
PNG
(CHEMBL218884 | US9402842, 55)
Show SMILES COc1cccc2C(=O)c3c(-c12)n(CCCN)c(=O)c1cc(ccc31)[N+]([O-])=O
Show InChI InChI=1S/C20H17N3O5/c1-28-15-5-2-4-13-16(15)18-17(19(13)24)12-7-6-11(23(26)27)10-14(12)20(25)22(18)9-3-8-21/h2,4-7,10H,3,8-9,21H2,1H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425085
PNG
(CHEMBL2312908 | US9402842, 89)
Show SMILES COc1ccc-2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc(N)ccc12
Show InChI InChI=1S/C20H19N3O3/c1-26-12-4-6-14-15(10-12)19(24)17-13-5-3-11(22)9-16(13)20(25)23(18(14)17)8-2-7-21/h3-6,9-10H,2,7-8,21-22H2,1H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


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

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425084
PNG
(CHEMBL2312893 | US9402842, 40)
Show SMILES CCOC(=O)CNc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1
Show InChI InChI=1S/C23H23N3O4/c1-2-30-19(27)13-25-14-8-9-15-18(12-14)23(29)26(11-5-10-24)21-16-6-3-4-7-17(16)22(28)20(15)21/h3-4,6-9,12,25H,2,5,10-11,13,24H2,1H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425054
PNG
(CHEMBL2312904)
Show SMILES CN(C)CCCn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)C#N
Show InChI InChI=1S/C22H19N3O2/c1-24(2)10-5-11-25-20-16-6-3-4-7-17(16)21(26)19(20)15-9-8-14(13-23)12-18(15)22(25)27/h3-4,6-9,12H,5,10-11H2,1-2H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50396238
PNG
(CHEMBL2172212 | US9402842, 62)
Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(N)cc2c1=O
Show InChI InChI=1S/C19H17N3O2/c20-8-3-9-22-17-13-4-1-2-5-14(13)18(23)16(17)12-7-6-11(21)10-15(12)19(22)24/h1-2,4-7,10H,3,8-9,20-21H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388546
PNG
(CHEMBL213072 | CHEMBL333363)
Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C19H16N2O2/c20-10-5-11-21-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(21)23/h1-4,6-9H,5,10-11,20H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425044
PNG
(CHEMBL2312899 | US9402842, 51)
Show SMILES COc1ccc2C(=O)c3c(-c2c1)n(CCCN)c(=O)c1cc(ccc31)[N+]([O-])=O
Show InChI InChI=1S/C20H17N3O5/c1-28-12-4-6-14-15(10-12)18-17(19(14)24)13-5-3-11(23(26)27)9-16(13)20(25)22(18)8-2-7-21/h3-6,9-10H,2,7-8,21H2,1H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50396234
PNG
(CHEMBL2172214 | US9402842, 57)
Show SMILES CC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1
Show InChI InChI=1S/C21H19N3O3/c1-12(25)23-13-7-8-14-17(11-13)21(27)24(10-4-9-22)19-15-5-2-3-6-16(15)20(26)18(14)19/h2-3,5-8,11H,4,9-10,22H2,1H3,(H,23,25)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425046
PNG
(CHEMBL2312571 | US9402842, 23)
Show SMILES COC(=O)CC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1
Show InChI InChI=1S/C23H21N3O5/c1-31-19(28)12-18(27)25-13-7-8-14-17(11-13)23(30)26(10-4-9-24)21-15-5-2-3-6-16(15)22(29)20(14)21/h2-3,5-8,11H,4,9-10,12,24H2,1H3,(H,25,27)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425049
PNG
(CHEMBL2312886)
Show SMILES CC(OC(C)(C)C)=NCCCn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)CCCCC(O)=O)cc2c1=O
Show InChI InChI=1S/C31H35N3O6/c1-19(40-31(2,3)4)32-16-9-17-34-28-22-10-5-6-11-23(22)29(38)27(28)21-15-14-20(18-24(21)30(34)39)33-25(35)12-7-8-13-26(36)37/h5-6,10-11,14-15,18H,7-9,12-13,16-17H2,1-4H3,(H,33,35)(H,36,37)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425053
PNG
(CHEMBL2312572)
Show SMILES COC(=O)CCC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1
Show InChI InChI=1S/C24H23N3O5/c1-32-20(29)10-9-19(28)26-14-7-8-15-18(13-14)24(31)27(12-4-11-25)22-16-5-2-3-6-17(16)23(30)21(15)22/h2-3,5-8,13H,4,9-12,25H2,1H3,(H,26,28)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425052
PNG
(CHEMBL2312882)
Show SMILES COC(=O)CCCC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1
Show InChI InChI=1S/C25H25N3O5/c1-33-21(30)9-4-8-20(29)27-15-10-11-16-19(14-15)25(32)28(13-5-12-26)23-17-6-2-3-7-18(17)24(31)22(16)23/h2-3,6-7,10-11,14H,4-5,8-9,12-13,26H2,1H3,(H,27,29)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425051
PNG
(CHEMBL2312883)
Show SMILES COC(=O)CCCCC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1
Show InChI InChI=1S/C26H27N3O5/c1-34-22(31)10-5-4-9-21(30)28-16-11-12-17-20(15-16)26(33)29(14-6-13-27)24-18-7-2-3-8-19(18)25(32)23(17)24/h2-3,7-8,11-12,15H,4-6,9-10,13-14,27H2,1H3,(H,28,30)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50396237
PNG
(CHEMBL2172208)
Show SMILES CNc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1
Show InChI InChI=1S/C20H19N3O2/c1-22-12-7-8-13-16(11-12)20(25)23(10-4-9-21)18-14-5-2-3-6-15(14)19(24)17(13)18/h2-3,5-8,11,22H,4,9-10,21H2,1H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425089
PNG
(CHEMBL242413)
Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C19H15N3O4/c20-8-3-9-21-17-13-4-1-2-5-14(13)18(23)16(17)12-7-6-11(22(25)26)10-15(12)19(21)24/h1-2,4-7,10H,3,8-9,20H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425050
PNG
(CHEMBL2312884)
Show SMILES CC(C)(C)OC(=O)NCCCn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)CCC(O)=O)cc2c1=O
Show InChI InChI=1S/C28H29N3O7/c1-28(2,3)38-27(37)29-13-6-14-31-24-18-7-4-5-8-19(18)25(35)23(24)17-10-9-16(15-20(17)26(31)36)30-21(32)11-12-22(33)34/h4-5,7-10,15H,6,11-14H2,1-3H3,(H,29,37)(H,30,32)(H,33,34)
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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 recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425047
PNG
(CHEMBL2312570 | US9402842, 22)
Show SMILES COC(=O)C(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1
Show InChI InChI=1S/C22H19N3O5/c1-30-22(29)20(27)24-12-7-8-13-16(11-12)21(28)25(10-4-9-23)18-14-5-2-3-6-15(14)19(26)17(13)18/h2-3,5-8,11H,4,9-10,23H2,1H3,(H,24,27)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM60991
PNG
(BDBM50425048 | US9402842, 14)
Show SMILES Cn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)C(O)=O)cc2c1=O
Show InChI InChI=1S/C19H12N2O5/c1-21-15-11-4-2-3-5-12(11)16(22)14(15)10-7-6-9(8-13(10)18(21)24)20-17(23)19(25)26/h2-8H,1H3,(H,20,23)(H,25,26)
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n/an/a 6.10E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425069
PNG
(CHEMBL2312891)
Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)CCCCC(O)=O)cc2c1=O
Show InChI InChI=1S/C25H25N3O5/c26-12-5-13-28-23-17-6-1-2-7-18(17)24(32)22(23)16-11-10-15(14-19(16)25(28)33)27-20(29)8-3-4-9-21(30)31/h1-2,6-7,10-11,14H,3-5,8-9,12-13,26H2,(H,27,29)(H,30,31)
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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 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425062
PNG
(CHEMBL2172296)
Show SMILES CC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCN=[N+]=[N-])c(=O)c2c1
Show InChI InChI=1S/C21H17N5O3/c1-12(27)24-13-7-8-14-17(11-13)21(29)26(10-4-9-23-25-22)19-15-5-2-3-6-16(15)20(28)18(14)19/h2-3,5-8,11H,4,9-10H2,1H3,(H,24,27)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425072
PNG
(CHEMBL2312888)
Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)CC(O)=O)cc2c1=O
Show InChI InChI=1S/C22H19N3O5/c23-8-3-9-25-20-14-4-1-2-5-15(14)21(29)19(20)13-7-6-12(10-16(13)22(25)30)24-17(26)11-18(27)28/h1-2,4-7,10H,3,8-9,11,23H2,(H,24,26)(H,27,28)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425068
PNG
(CHEMBL2312892)
Show SMILES CCOC(=O)CNc1ccc2c3C(=O)c4ccccc4-c3n(C)c(=O)c2c1
Show InChI InChI=1S/C21H18N2O4/c1-3-27-17(24)11-22-12-8-9-13-16(10-12)21(26)23(2)19-14-6-4-5-7-15(14)20(25)18(13)19/h4-10,22H,3,11H2,1-2H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425056
PNG
(CHEMBL2312905)
Show SMILES CN(C)CCCn1c2-c3cc4OCOc4cc3C(=O)c2c2ccc(cc2c1=O)C#N
Show InChI InChI=1S/C23H19N3O4/c1-25(2)6-3-7-26-21-15-9-18-19(30-12-29-18)10-16(15)22(27)20(21)14-5-4-13(11-24)8-17(14)23(26)28/h4-5,8-10H,3,6-7,12H2,1-2H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425058
PNG
(CHEMBL2312902)
Show SMILES O=C1c2ccccc2-c2c1c1ccc(cc1c(=O)n2CCCn1ccnc1)C#N
Show InChI InChI=1S/C23H16N4O2/c24-13-15-6-7-16-19(12-15)23(29)27(10-3-9-26-11-8-25-14-26)21-17-4-1-2-5-18(17)22(28)20(16)21/h1-2,4-8,11-12,14H,3,9-10H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425060
PNG
(CHEMBL2172215)
Show SMILES CC(=O)Nc1ccc2c3C(O)c4ccccc4-c3n(CCCN)c(=O)c2c1
Show InChI InChI=1S/C21H21N3O3/c1-12(25)23-13-7-8-14-17(11-13)21(27)24(10-4-9-22)19-15-5-2-3-6-16(15)20(26)18(14)19/h2-3,5-8,11,20,26H,4,9-10,22H2,1H3,(H,23,25)
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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 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425061
PNG
(CHEMBL2172218)
Show SMILES CC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCO)c(=O)c2c1
Show InChI InChI=1S/C21H18N2O4/c1-12(25)22-13-7-8-14-17(11-13)21(27)23(9-4-10-24)19-15-5-2-3-6-16(15)20(26)18(14)19/h2-3,5-8,11,24H,4,9-10H2,1H3,(H,22,25)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425070
PNG
(CHEMBL2312890)
Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)CCCC(O)=O)cc2c1=O
Show InChI InChI=1S/C24H23N3O5/c25-11-4-12-27-22-16-5-1-2-6-17(16)23(31)21(22)15-10-9-14(13-18(15)24(27)32)26-19(28)7-3-8-20(29)30/h1-2,5-6,9-10,13H,3-4,7-8,11-12,25H2,(H,26,28)(H,29,30)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425071
PNG
(CHEMBL2312889)
Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)CCC(O)=O)cc2c1=O
Show InChI InChI=1S/C23H21N3O5/c24-10-3-11-26-21-15-4-1-2-5-16(15)22(30)20(21)14-7-6-13(12-17(14)23(26)31)25-18(27)8-9-19(28)29/h1-2,4-7,12H,3,8-11,24H2,(H,25,27)(H,28,29)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425081
PNG
(CHEMBL2312911)
Show SMILES COC(=O)CCC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(C)c(=O)c2c1
Show InChI InChI=1S/C22H18N2O5/c1-24-20-14-5-3-4-6-15(14)21(27)19(20)13-8-7-12(11-16(13)22(24)28)23-17(25)9-10-18(26)29-2/h3-8,11H,9-10H2,1-2H3,(H,23,25)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425082
PNG
(CHEMBL2312910)
Show SMILES COC(=O)CC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(C)c(=O)c2c1
Show InChI InChI=1S/C21H16N2O5/c1-23-19-13-5-3-4-6-14(13)20(26)18(19)12-8-7-11(9-15(12)21(23)27)22-16(24)10-17(25)28-2/h3-9H,10H2,1-2H3,(H,22,24)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425059
PNG
(CHEMBL2172300)
Show SMILES OCCCn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C19H14N2O5/c22-9-3-8-20-17-13-4-1-2-5-14(13)18(23)16(17)12-7-6-11(21(25)26)10-15(12)19(20)24/h1-2,4-7,10,22H,3,8-9H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425067
PNG
(CHEMBL2312894)
Show SMILES Cn1c2-c3ccccc3C(=O)c2c2ccc(NCC(O)=O)cc2c1=O
Show InChI InChI=1S/C19H14N2O4/c1-21-17-12-4-2-3-5-13(12)18(24)16(17)11-7-6-10(20-9-15(22)23)8-14(11)19(21)25/h2-8,20H,9H2,1H3,(H,22,23)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425074
PNG
(CHEMBL2312885)
Show SMILES CC(C)(C)OC(=O)NCCCn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)CCCC(O)=O)cc2c1=O
Show InChI InChI=1S/C29H31N3O7/c1-29(2,3)39-28(38)30-14-7-15-32-25-19-8-4-5-9-20(19)26(36)24(25)18-13-12-17(16-21(18)27(32)37)31-22(33)10-6-11-23(34)35/h4-5,8-9,12-13,16H,6-7,10-11,14-15H2,1-3H3,(H,30,38)(H,31,33)(H,34,35)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425077
PNG
(CHEMBL2312916)
Show SMILES COC(=O)CC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCNC(=O)OC(C)(C)C)c(=O)c2c1
Show InChI InChI=1S/C28H29N3O7/c1-28(2,3)38-27(36)29-12-7-13-31-24-18-8-5-6-9-19(18)25(34)23(24)17-11-10-16(14-20(17)26(31)35)30-21(32)15-22(33)37-4/h5-6,8-11,14H,7,12-13,15H2,1-4H3,(H,29,36)(H,30,32)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425073
PNG
(CHEMBL2312887)
Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)C(O)=O)cc2c1=O
Show InChI InChI=1S/C21H17N3O5/c22-8-3-9-24-17-13-4-1-2-5-14(13)18(25)16(17)12-7-6-11(10-15(12)20(24)27)23-19(26)21(28)29/h1-2,4-7,10H,3,8-9,22H2,(H,23,26)(H,28,29)
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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 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425083
PNG
(CHEMBL2312909)
Show SMILES COC(=O)C(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(C)c(=O)c2c1
Show InChI InChI=1S/C20H14N2O5/c1-22-16-12-5-3-4-6-13(12)17(23)15(16)11-8-7-10(9-14(11)19(22)25)21-18(24)20(26)27-2/h3-9H,1-2H3,(H,21,24)
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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 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425079
PNG
(CHEMBL2312913)
Show SMILES COC(=O)CCCCC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(C)c(=O)c2c1
Show InChI InChI=1S/C24H22N2O5/c1-26-22-16-7-3-4-8-17(16)23(29)21(22)15-12-11-14(13-18(15)24(26)30)25-19(27)9-5-6-10-20(28)31-2/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,25,27)
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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 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425057
PNG
(CHEMBL2312903)
Show SMILES O=C1c2ccccc2-c2c1c1ccc(cc1c(=O)n2CCCN1CCOCC1)C#N
Show InChI InChI=1S/C24H21N3O3/c25-15-16-6-7-17-20(14-16)24(29)27(9-3-8-26-10-12-30-13-11-26)22-18-4-1-2-5-19(18)23(28)21(17)22/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 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425064
PNG
(CHEMBL2312898)
Show SMILES COc1ccc2C(=O)c3c(-c2c1)n(CCCN=[N+]=[N-])c(=O)c1cc(ccc31)[N+]([O-])=O
Show InChI InChI=1S/C20H15N5O5/c1-30-12-4-6-14-15(10-12)18-17(19(14)26)13-5-3-11(25(28)29)9-16(13)20(27)24(18)8-2-7-22-23-21/h3-6,9-10H,2,7-8H2,1H3
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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 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425066
PNG
(CHEMBL2312895)
Show SMILES CC(C)(C)OC(=O)NCCCn1c2-c3ccccc3C(=O)c2c2ccc(NCC(O)=O)cc2c1=O
Show InChI InChI=1S/C26H27N3O6/c1-26(2,3)35-25(34)27-11-6-12-29-22-17-7-4-5-8-18(17)23(32)21(22)16-10-9-15(28-14-20(30)31)13-19(16)24(29)33/h4-5,7-10,13,28H,6,11-12,14H2,1-3H3,(H,27,34)(H,30,31)
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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 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425078
PNG
(CHEMBL2312915)
Show SMILES Cn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)CC(O)=O)cc2c1=O
Show InChI InChI=1S/C20H14N2O5/c1-22-18-12-4-2-3-5-13(12)19(26)17(18)11-7-6-10(8-14(11)20(22)27)21-15(23)9-16(24)25/h2-8H,9H2,1H3,(H,21,23)(H,24,25)
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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 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425075
PNG
(CHEMBL2312569)
Show SMILES COC(=O)CCCC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCNC(=O)OC(C)(C)C)c(=O)c2c1
Show InChI InChI=1S/C30H33N3O7/c1-30(2,3)40-29(38)31-15-8-16-33-26-20-9-5-6-10-21(20)27(36)25(26)19-14-13-18(17-22(19)28(33)37)32-23(34)11-7-12-24(35)39-4/h5-6,9-10,13-14,17H,7-8,11-12,15-16H2,1-4H3,(H,31,38)(H,32,34)
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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 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425065
PNG
(CHEMBL2312897)
Show SMILES COc1ccc2C(=O)c3c(-c2c1)n(CCCBr)c(=O)c1cc(ccc31)[N+]([O-])=O
Show InChI InChI=1S/C20H15BrN2O5/c1-28-12-4-6-14-15(10-12)18-17(19(14)24)13-5-3-11(23(26)27)9-16(13)20(25)22(18)8-2-7-21/h3-6,9-10H,2,7-8H2,1H3
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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 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425063
PNG
(CHEMBL2312901)
Show SMILES COc1ccc2C(=O)c3c(-c2c1)n(CCCN1CCOCC1)c(=O)c1cc(ccc31)[N+]([O-])=O
Show InChI InChI=1S/C24H23N3O6/c1-32-16-4-6-18-19(14-16)22-21(23(18)28)17-5-3-15(27(30)31)13-20(17)24(29)26(22)8-2-7-25-9-11-33-12-10-25/h3-6,13-14H,2,7-12H2,1H3
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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 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425080
PNG
(CHEMBL2312912)
Show SMILES COC(=O)CCCC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(C)c(=O)c2c1
Show InChI InChI=1S/C23H20N2O5/c1-25-21-15-6-3-4-7-16(15)22(28)20(21)14-11-10-13(12-17(14)23(25)29)24-18(26)8-5-9-19(27)30-2/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,24,26)
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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 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425076
PNG
(CHEMBL2312917)
Show SMILES COC(=O)CCC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCNC(=O)OC(C)(C)C)c(=O)c2c1
Show InChI InChI=1S/C29H31N3O7/c1-29(2,3)39-28(37)30-14-7-15-32-25-19-8-5-6-9-20(19)26(35)24(25)18-11-10-17(16-21(18)27(32)36)31-22(33)12-13-23(34)38-4/h5-6,8-11,16H,7,12-15H2,1-4H3,(H,30,37)(H,31,33)
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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 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM60991
PNG
(BDBM50425048 | US9402842, 14)
Show SMILES Cn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)C(O)=O)cc2c1=O
Show InChI InChI=1S/C19H12N2O5/c1-21-15-11-4-2-3-5-12(11)16(22)14(15)10-7-6-9(8-13(10)18(21)24)20-17(23)19(25)26/h2-8H,1H3,(H,20,23)(H,25,26)
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n/an/an/a 3.10E+4n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Tdp1 (unknown origin) using 3'-phosphate(GATCTAAAAGACTT) as substrate by surface plasmon resonance analysis


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%