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PubMed code 22536944

Compile data set for download or QSAR
Found 91 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))
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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3.19E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant Tdp1 after 1 hr by FRET assay


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388544
PNG
(CHEMBL2057323)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCNCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C41H36N4O4/c46-38-30-16-5-3-14-28(30)36-34(38)26-12-1-7-18-32(26)40(48)44(36)24-10-22-42-20-9-21-43-23-11-25-45-37-29-15-4-6-17-31(29)39(47)35(37)27-13-2-8-19-33(27)41(45)49/h1-8,12-19,42-43H,9-11,20-25H2
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n/an/a 1.52E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388544
PNG
(CHEMBL2057323)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCNCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C41H36N4O4/c46-38-30-16-5-3-14-28(30)36-34(38)26-12-1-7-18-32(26)40(48)44(36)24-10-22-42-20-9-21-43-23-11-25-45-37-29-15-4-6-17-31(29)39(47)35(37)27-13-2-8-19-33(27)41(45)49/h1-8,12-19,42-43H,9-11,20-25H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Tdp1 in Tdp1-deficient chicken DT40 whole cell extract using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-p...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
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 7.70E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388554
PNG
(CHEMBL223545)
Show SMILES NCCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C27H32N2O2/c28-18-12-6-4-2-1-3-5-7-13-19-29-25-21-15-9-10-16-22(21)26(30)24(25)20-14-8-11-17-23(20)27(29)31/h8-11,14-17H,1-7,12-13,18-19,28H2
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n/an/a 1.28E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388554
PNG
(CHEMBL223545)
Show SMILES NCCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C27H32N2O2/c28-18-12-6-4-2-1-3-5-7-13-19-29-25-21-15-9-10-16-22(21)26(30)24(25)20-14-8-11-17-23(20)27(29)31/h8-11,14-17H,1-7,12-13,18-19,28H2
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n/an/a 1.41E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Tdp1 in Tdp1-deficient chicken DT40 whole cell extract using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-p...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388553
PNG
(CHEMBL223773)
Show SMILES NCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C26H30N2O2/c27-17-11-5-3-1-2-4-6-12-18-28-24-20-14-8-9-15-21(20)25(29)23(24)19-13-7-10-16-22(19)26(28)30/h7-10,13-16H,1-6,11-12,17-18,27H2
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n/an/a 1.41E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388555
PNG
(CHEMBL388801)
Show SMILES NCCCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C28H34N2O2/c29-19-13-7-5-3-1-2-4-6-8-14-20-30-26-22-16-10-11-17-23(22)27(31)25(26)21-15-9-12-18-24(21)28(30)32/h9-12,15-18H,1-8,13-14,19-20,29H2
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n/an/a 1.51E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388548
PNG
(CHEMBL1182248 | CHEMBL225093)
Show SMILES NCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C21H20N2O2/c22-12-6-1-7-13-23-19-15-9-3-4-10-16(15)20(24)18(19)14-8-2-5-11-17(14)21(23)25/h2-5,8-11H,1,6-7,12-13,22H2
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n/an/a 1.75E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388553
PNG
(CHEMBL223773)
Show SMILES NCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C26H30N2O2/c27-17-11-5-3-1-2-4-6-12-18-28-24-20-14-8-9-15-21(20)25(29)23(24)19-13-7-10-16-22(19)26(28)30/h7-10,13-16H,1-6,11-12,17-18,27H2
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n/an/a 2.13E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Tdp1 in Tdp1-deficient chicken DT40 whole cell extract using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-p...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388547
PNG
(CHEMBL1181663 | CHEMBL187863)
Show SMILES NCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C20H18N2O2/c21-11-5-6-12-22-18-14-8-2-3-9-15(14)19(23)17(18)13-7-1-4-10-16(13)20(22)24/h1-4,7-10H,5-6,11-12,21H2
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n/an/a 2.23E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388547
PNG
(CHEMBL1181663 | CHEMBL187863)
Show SMILES NCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C20H18N2O2/c21-11-5-6-12-22-18-14-8-2-3-9-15(14)19(23)17(18)13-7-1-4-10-16(13)20(22)24/h1-4,7-10H,5-6,11-12,21H2
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n/an/a 2.34E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Tdp1 in Tdp1-deficient chicken DT40 whole cell extract using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-p...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388549
PNG
(CHEMBL1185123 | CHEMBL390611)
Show SMILES NCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C22H22N2O2/c23-13-7-1-2-8-14-24-20-16-10-4-5-11-17(16)21(25)19(20)15-9-3-6-12-18(15)22(24)26/h3-6,9-12H,1-2,7-8,13-14,23H2
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n/an/a 2.50E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388548
PNG
(CHEMBL1182248 | CHEMBL225093)
Show SMILES NCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C21H20N2O2/c22-12-6-1-7-13-23-19-15-9-3-4-10-16(15)20(24)18(19)14-8-2-5-11-17(14)21(23)25/h2-5,8-11H,1,6-7,12-13,22H2
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n/an/a 2.80E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Tdp1 in Tdp1-deficient chicken DT40 whole cell extract using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-p...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388551
PNG
(CHEMBL225390)
Show SMILES NCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C23H24N2O2/c24-14-8-2-1-3-9-15-25-21-17-11-5-6-12-18(17)22(26)20(21)16-10-4-7-13-19(16)23(25)27/h4-7,10-13H,1-3,8-9,14-15,24H2
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n/an/a 2.88E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
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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n/an/a 2.95E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
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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n/an/a 2.95E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Tdp1 in Tdp1-deficient chicken DT40 whole cell extract using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-p...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388602
PNG
(FURAMIDINE)
Show SMILES NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)
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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 Tdp1


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388551
PNG
(CHEMBL225390)
Show SMILES NCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C23H24N2O2/c24-14-8-2-1-3-9-15-25-21-17-11-5-6-12-18(17)22(26)20(21)16-10-4-7-13-19(16)23(25)27/h4-7,10-13H,1-3,8-9,14-15,24H2
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n/an/a 3.10E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Tdp1 in Tdp1-deficient chicken DT40 whole cell extract using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-p...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388555
PNG
(CHEMBL388801)
Show SMILES NCCCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C28H34N2O2/c29-19-13-7-5-3-1-2-4-6-8-14-20-30-26-22-16-10-11-17-23(22)27(31)25(26)21-15-9-12-18-24(21)28(30)32/h9-12,15-18H,1-8,13-14,19-20,29H2
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n/an/a 3.30E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Tdp1 in Tdp1-deficient chicken DT40 whole cell extract using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-p...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388549
PNG
(CHEMBL1185123 | CHEMBL390611)
Show SMILES NCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C22H22N2O2/c23-13-7-1-2-8-14-24-20-16-10-4-5-11-17(16)21(25)19(20)15-9-3-6-12-18(15)22(24)26/h3-6,9-12H,1-2,7-8,13-14,23H2
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n/an/a 3.50E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Tdp1 in Tdp1-deficient chicken DT40 whole cell extract using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-p...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388552
PNG
(CHEMBL376179)
Show SMILES NCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C25H28N2O2/c26-16-10-4-2-1-3-5-11-17-27-23-19-13-7-8-14-20(19)24(28)22(23)18-12-6-9-15-21(18)25(27)29/h6-9,12-15H,1-5,10-11,16-17,26H2
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n/an/a 4.70E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388550
PNG
(CHEMBL427251)
Show SMILES NCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C24H26N2O2/c25-15-9-3-1-2-4-10-16-26-22-18-12-6-7-13-19(18)23(27)21(22)17-11-5-8-14-20(17)24(26)28/h5-8,11-14H,1-4,9-10,15-16,25H2
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n/an/a 4.80E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388552
PNG
(CHEMBL376179)
Show SMILES NCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C25H28N2O2/c26-16-10-4-2-1-3-5-11-17-27-23-19-13-7-8-14-20(19)24(28)22(23)18-12-6-9-15-21(18)25(27)29/h6-9,12-15H,1-5,10-11,16-17,26H2
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n/an/a 4.80E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Tdp1 in Tdp1-deficient chicken DT40 whole cell extract using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-p...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388550
PNG
(CHEMBL427251)
Show SMILES NCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C24H26N2O2/c25-15-9-3-1-2-4-10-16-26-22-18-12-6-7-13-19(18)23(27)21(22)17-11-5-8-14-20(17)24(26)28/h5-8,11-14H,1-4,9-10,15-16,25H2
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n/an/a 4.90E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Tdp1 in Tdp1-deficient chicken DT40 whole cell extract using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-p...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388545
PNG
(CHEMBL1181674 | CHEMBL188130)
Show SMILES NCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C18H14N2O2/c19-9-10-20-16-12-6-2-3-7-13(12)17(21)15(16)11-5-1-4-8-14(11)18(20)22/h1-8H,9-10,19H2
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n/an/a 5.53E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388545
PNG
(CHEMBL1181674 | CHEMBL188130)
Show SMILES NCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C18H14N2O2/c19-9-10-20-16-12-6-2-3-7-13(12)17(21)15(16)11-5-1-4-8-14(11)18(20)22/h1-8H,9-10,19H2
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n/an/a 7.80E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Tdp1 in Tdp1-deficient chicken DT40 whole cell extract using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-p...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM47063
PNG
(CHEMBL2059280 | US8912213, 84)
Show SMILES CS(=O)(=O)NCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C23H24N2O4S/c1-30(28,29)24-14-8-2-3-9-15-25-21-17-11-5-6-12-18(17)22(26)20(21)16-10-4-7-13-19(16)23(25)27/h4-7,10-13,24H,2-3,8-9,14-15H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388563
PNG
(CHEMBL2059429)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H20N2O4S/c28-24-20-13-6-5-12-19(20)23-22(24)18-11-4-7-14-21(18)25(29)27(23)16-8-15-26-32(30,31)17-9-2-1-3-10-17/h1-7,9-14,26H,8,15-16H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388569
PNG
(CHEMBL2059531)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C32H34N2O4S/c35-31-27-20-12-11-19-26(27)30-29(31)25-18-10-13-21-28(25)32(36)34(30)23-15-6-4-2-1-3-5-14-22-33-39(37,38)24-16-8-7-9-17-24/h7-13,16-21,33H,1-6,14-15,22-23H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388575
PNG
(CHEMBL2059539)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C30H30N2O4S/c1-21-15-17-22(18-16-21)37(35,36)31-19-9-3-2-4-10-20-32-28-24-12-6-7-13-25(24)29(33)27(28)23-11-5-8-14-26(23)30(32)34/h5-8,11-18,31H,2-4,9-10,19-20H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388587
PNG
(CHEMBL2059757)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C34H37BrN2O4S/c35-25-19-21-26(22-20-25)42(40,41)36-23-13-7-5-3-1-2-4-6-8-14-24-37-32-28-16-10-11-17-29(28)33(38)31(32)27-15-9-12-18-30(27)34(37)39/h9-12,15-22,36H,1-8,13-14,23-24H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388592
PNG
(CHEMBL2057321)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C43H38N2O4/c46-40-32-22-12-10-20-30(32)38-36(40)28-18-8-14-24-34(28)42(48)44(38)26-16-6-4-2-1-3-5-7-17-27-45-39-31-21-11-13-23-33(31)41(47)37(39)29-19-9-15-25-35(29)43(45)49/h8-15,18-25H,1-7,16-17,26-27H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388593
PNG
(CHEMBL123218)
Show SMILES OCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C18H13NO3/c20-10-9-19-16-12-6-2-3-7-13(12)17(21)15(16)11-5-1-4-8-14(11)18(19)22/h1-8,20H,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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388594
PNG
(CHEMBL121622)
Show SMILES OCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C19H15NO3/c21-11-5-10-20-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(20)23/h1-4,6-9,21H,5,10-11H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388601
PNG
(CHEMBL2057330)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C30H29NO5S/c1-21-15-17-22(18-16-21)37(34,35)36-20-10-4-2-3-9-19-31-28-24-12-6-7-13-25(24)29(32)27(28)23-11-5-8-14-26(23)30(31)33/h5-8,11-18H,2-4,9-10,19-20H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388607
PNG
(CHEMBL2059533)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCCCCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C34H38N2O4S/c37-33-29-22-14-13-21-28(29)32-31(33)27-20-12-15-23-30(27)34(38)36(32)25-17-8-6-4-2-1-3-5-7-16-24-35-41(39,40)26-18-10-9-11-19-26/h9-15,18-23,35H,1-8,16-17,24-25H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388610
PNG
(CHEMBL2059750)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C27H23BrN2O4S/c28-18-12-14-19(15-13-18)35(33,34)29-16-6-1-7-17-30-25-21-9-3-4-10-22(21)26(31)24(25)20-8-2-5-11-23(20)27(30)32/h2-5,8-15,29H,1,6-7,16-17H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388618
PNG
(CHEMBL2057231)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H18N2O4S/c27-23-19-12-6-5-11-18(19)22-21(23)17-10-4-7-13-20(17)24(28)26(22)15-14-25-31(29,30)16-8-2-1-3-9-16/h1-13,25H,14-15H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388570
PNG
(CHEMBL2059532)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCCCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C33H36N2O4S/c36-32-28-21-13-12-20-27(28)31-30(32)26-19-11-14-22-29(26)33(37)35(31)24-16-7-5-3-1-2-4-6-15-23-34-40(38,39)25-17-9-8-10-18-25/h8-14,17-22,34H,1-7,15-16,23-24H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388572
PNG
(CHEMBL2059535)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C26H22N2O4S/c1-17-11-13-18(14-12-17)33(31,32)27-15-6-16-28-24-20-8-3-4-9-21(20)25(29)23(24)19-7-2-5-10-22(19)26(28)30/h2-5,7-14,27H,6,15-16H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388581
PNG
(CHEMBL2059749)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C26H21BrN2O4S/c27-17-11-13-18(14-12-17)34(32,33)28-15-5-6-16-29-24-20-8-2-3-9-21(20)25(30)23(24)19-7-1-4-10-22(19)26(29)31/h1-4,7-14,28H,5-6,15-16H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388589
PNG
(CHEMBL2059760)
Show SMILES COC(=O)c1ccc-2c(c1)C(=O)c1c-2n(CCCNS(=O)(=O)c2ccccc2)c(=O)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C29H26N2O8S/c1-37-23-15-20-22(16-24(23)38-2)28(33)31(13-7-12-30-40(35,36)18-8-5-4-6-9-18)26-19-11-10-17(29(34)39-3)14-21(19)27(32)25(20)26/h4-6,8-11,14-16,30H,7,12-13H2,1-3H3
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388615
PNG
(CHEMBL2057328)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C28H25NO5S/c1-19-13-15-20(16-14-19)35(32,33)34-18-8-2-7-17-29-26-22-10-4-5-11-23(22)27(30)25(26)21-9-3-6-12-24(21)28(29)31/h3-6,9-16H,2,7-8,17-18H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388565
PNG
(CHEMBL2059431)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H24N2O4S/c30-26-22-15-7-6-14-21(22)25-24(26)20-13-5-8-16-23(20)27(31)29(25)18-10-2-9-17-28-34(32,33)19-11-3-1-4-12-19/h1,3-8,11-16,28H,2,9-10,17-18H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388579
PNG
(CHEMBL2059695)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C24H17BrN2O4S/c25-15-9-11-16(12-10-15)32(30,31)26-13-14-27-22-18-6-2-3-7-19(18)23(28)21(22)17-5-1-4-8-20(17)24(27)29/h1-12,26H,13-14H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388595
PNG
(CHEMBL139888)
Show SMILES OCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C20H17NO3/c22-12-6-5-11-21-18-14-8-2-3-9-15(14)19(23)17(18)13-7-1-4-10-16(13)20(21)24/h1-4,7-10,22H,5-6,11-12H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388597
PNG
(CHEMBL2057325)
Show SMILES OCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C23H23NO3/c25-15-9-3-1-2-8-14-24-21-17-11-5-6-12-18(17)22(26)20(21)16-10-4-7-13-19(16)23(24)27/h4-7,10-13,25H,1-3,8-9,14-15H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388603
PNG
(CHEMBL2059276)
Show SMILES CS(=O)(=O)NCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C19H16N2O4S/c1-26(24,25)20-10-11-21-17-13-7-3-4-8-14(13)18(22)16(17)12-6-2-5-9-15(12)19(21)23/h2-9,20H,10-11H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388605
PNG
(CHEMBL2059691)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C32H34N2O4S/c1-23-17-19-24(20-18-23)39(37,38)33-21-11-5-3-2-4-6-12-22-34-30-26-14-8-9-15-27(26)31(35)29(30)25-13-7-10-16-28(25)32(34)36/h7-10,13-20,33H,2-6,11-12,21-22H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388571
PNG
(CHEMBL2059534)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C25H20N2O4S/c1-16-10-12-17(13-11-16)32(30,31)26-14-15-27-23-19-7-3-4-8-20(19)24(28)22(23)18-6-2-5-9-21(18)25(27)29/h2-13,26H,14-15H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388576
PNG
(CHEMBL2059690)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C31H32N2O4S/c1-22-16-18-23(19-17-22)38(36,37)32-20-10-4-2-3-5-11-21-33-29-25-13-7-8-14-26(25)30(34)28(29)24-12-6-9-15-27(24)31(33)35/h6-9,12-19,32H,2-5,10-11,20-21H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388578
PNG
(CHEMBL2059694)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C35H40N2O4S/c1-26-20-22-27(23-21-26)42(40,41)36-24-14-8-6-4-2-3-5-7-9-15-25-37-33-29-17-11-12-18-30(29)34(38)32(33)28-16-10-13-19-31(28)35(37)39/h10-13,16-23,36H,2-9,14-15,24-25H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388586
PNG
(CHEMBL2059756)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C33H35BrN2O4S/c34-24-18-20-25(21-19-24)41(39,40)35-22-12-6-4-2-1-3-5-7-13-23-36-31-27-15-9-10-16-28(27)32(37)30(31)26-14-8-11-17-29(26)33(36)38/h8-11,14-21,35H,1-7,12-13,22-23H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388604
PNG
(CHEMBL2059428)
Show SMILES CS(=O)(=O)NCCCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C29H36N2O4S/c1-36(34,35)30-20-14-8-6-4-2-3-5-7-9-15-21-31-27-23-17-11-12-18-24(23)28(32)26(27)22-16-10-13-19-25(22)29(31)33/h10-13,16-19,30H,2-9,14-15,20-21H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388611
PNG
(CHEMBL2059754)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C31H31BrN2O4S/c32-22-16-18-23(19-17-22)39(37,38)33-20-10-4-2-1-3-5-11-21-34-29-25-13-7-8-14-26(25)30(35)28(29)24-12-6-9-15-27(24)31(34)36/h6-9,12-19,33H,1-5,10-11,20-21H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388613
PNG
(CHEMBL2057322)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C44H40N2O4/c47-41-33-23-13-11-21-31(33)39-37(41)29-19-9-15-25-35(29)43(49)45(39)27-17-7-5-3-1-2-4-6-8-18-28-46-40-32-22-12-14-24-34(32)42(48)38(40)30-20-10-16-26-36(30)44(46)50/h9-16,19-26H,1-8,17-18,27-28H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388616
PNG
(CHEMBL2059277)
Show SMILES CS(=O)(=O)NCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C20H18N2O4S/c1-27(25,26)21-11-6-12-22-18-14-8-3-4-9-15(14)19(23)17(18)13-7-2-5-10-16(13)20(22)24/h2-5,7-10,21H,6,11-12H2,1H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388617
PNG
(CHEMBL2059282)
Show SMILES CS(=O)(=O)NCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C25H28N2O4S/c1-32(30,31)26-16-10-4-2-3-5-11-17-27-23-19-13-7-8-14-20(19)24(28)22(23)18-12-6-9-15-21(18)25(27)29/h6-9,12-15,26H,2-5,10-11,16-17H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388559
PNG
(CHEMBL2059281)
Show SMILES CS(=O)(=O)NCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C24H26N2O4S/c1-31(29,30)25-15-9-3-2-4-10-16-26-22-18-12-6-7-13-19(18)23(27)21(22)17-11-5-8-14-20(17)24(26)28/h5-8,11-14,25H,2-4,9-10,15-16H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388562
PNG
(CHEMBL2059427)
Show SMILES CS(=O)(=O)NCCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C28H34N2O4S/c1-35(33,34)29-19-13-7-5-3-2-4-6-8-14-20-30-26-22-16-10-11-17-23(22)27(31)25(26)21-15-9-12-18-24(21)28(30)32/h9-12,15-18,29H,2-8,13-14,19-20H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388599
PNG
(CHEMBL2057327)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C27H23NO5S/c1-18-12-14-19(15-13-18)34(31,32)33-17-7-6-16-28-25-21-9-3-4-10-22(21)26(29)24(25)20-8-2-5-11-23(20)27(28)30/h2-5,8-15H,6-7,16-17H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388619
PNG
(CHEMBL2059433)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H28N2O4S/c32-28-24-17-9-8-16-23(24)27-26(28)22-15-7-10-18-25(22)29(33)31(27)20-12-3-1-2-11-19-30-36(34,35)21-13-5-4-6-14-21/h4-10,13-18,30H,1-3,11-12,19-20H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388556
PNG
(CHEMBL2059278)
Show SMILES CS(=O)(=O)NCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C21H20N2O4S/c1-28(26,27)22-12-6-7-13-23-19-15-9-3-4-10-16(15)20(24)18(19)14-8-2-5-11-17(14)21(23)25/h2-5,8-11,22H,6-7,12-13H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388560
PNG
(CHEMBL2059283)
Show SMILES CS(=O)(=O)NCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C26H30N2O4S/c1-33(31,32)27-17-11-5-3-2-4-6-12-18-28-24-20-14-8-9-15-21(20)25(29)23(24)19-13-7-10-16-22(19)26(28)30/h7-10,13-16,27H,2-6,11-12,17-18H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388566
PNG
(CHEMBL2059432)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H26N2O4S/c31-27-23-16-8-7-15-22(23)26-25(27)21-14-6-9-17-24(21)28(32)30(26)19-11-2-1-10-18-29-35(33,34)20-12-4-3-5-13-20/h3-9,12-17,29H,1-2,10-11,18-19H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388585
PNG
(CHEMBL2059755)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C32H33BrN2O4S/c33-23-17-19-24(20-18-23)40(38,39)34-21-11-5-3-1-2-4-6-12-22-35-30-26-14-8-9-15-27(26)31(36)29(30)25-13-7-10-16-28(25)32(35)37/h7-10,13-20,34H,1-6,11-12,21-22H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388588
PNG
(CHEMBL2059758)
Show SMILES [O-][N+](=O)c1ccc2c3C(=O)c4cc(ccc4-c3n(CCCNS(=O)(=O)c3ccccc3)c(=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C31H23N3O6S/c35-30-26-18-21(20-8-3-1-4-9-20)12-14-25(26)29-28(30)24-15-13-22(34(37)38)19-27(24)31(36)33(29)17-7-16-32-41(39,40)23-10-5-2-6-11-23/h1-6,8-15,18-19,32H,7,16-17H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388591
PNG
(CHEMBL2057320)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C42H36N2O4/c45-39-31-21-11-9-19-29(31)37-35(39)27-17-7-13-23-33(27)41(47)43(37)25-15-5-3-1-2-4-6-16-26-44-38-30-20-10-12-22-32(30)40(46)36(38)28-18-8-14-24-34(28)42(44)48/h7-14,17-24H,1-6,15-16,25-26H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388600
PNG
(CHEMBL2057329)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C29H27NO5S/c1-20-14-16-21(17-15-20)36(33,34)35-19-9-3-2-8-18-30-27-23-11-5-6-12-24(23)28(31)26(27)22-10-4-7-13-25(22)29(30)32/h4-7,10-17H,2-3,8-9,18-19H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388608
PNG
(CHEMBL2059537)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C28H26N2O4S/c1-19-13-15-20(16-14-19)35(33,34)29-17-7-2-8-18-30-26-22-10-4-5-11-23(22)27(31)25(26)21-9-3-6-12-24(21)28(30)32/h3-6,9-16,29H,2,7-8,17-18H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388609
PNG
(CHEMBL2059693)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C34H38N2O4S/c1-25-19-21-26(22-20-25)41(39,40)35-23-13-7-5-3-2-4-6-8-14-24-36-32-28-16-10-11-17-29(28)33(37)31(32)27-15-9-12-18-30(27)34(36)38/h9-12,15-22,35H,2-8,13-14,23-24H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388612
PNG
(CHEMBL2059759)
Show SMILES O=C1c2ccccc2-c2c1c1cc3OCOc3cc1c(=O)n2CCCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H20N2O6S/c29-25-18-10-5-4-9-17(18)24-23(25)19-13-21-22(34-15-33-21)14-20(19)26(30)28(24)12-6-11-27-35(31,32)16-7-2-1-3-8-16/h1-5,7-10,13-14,27H,6,11-12,15H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388561
PNG
(CHEMBL2059284)
Show SMILES CS(=O)(=O)NCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C27H32N2O4S/c1-34(32,33)28-18-12-6-4-2-3-5-7-13-19-29-25-21-15-9-10-16-22(21)26(30)24(25)20-14-8-11-17-23(20)27(29)31/h8-11,14-17,28H,2-7,12-13,18-19H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388564
PNG
(CHEMBL2059430)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H22N2O4S/c29-25-21-14-6-5-13-20(21)24-23(25)19-12-4-7-15-22(19)26(30)28(24)17-9-8-16-27-33(31,32)18-10-2-1-3-11-18/h1-7,10-15,27H,8-9,16-17H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388574
PNG
(CHEMBL2059538)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C29H28N2O4S/c1-20-11-10-12-21(19-20)36(34,35)30-17-8-2-3-9-18-31-27-23-14-5-6-15-24(23)28(32)26(27)22-13-4-7-16-25(22)29(31)33/h4-7,10-16,19,30H,2-3,8-9,17-18H2,1H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388577
PNG
(CHEMBL2059692)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C33H36N2O4S/c1-24-18-20-25(21-19-24)40(38,39)34-22-12-6-4-2-3-5-7-13-23-35-31-27-15-9-10-16-28(27)32(36)30(31)26-14-8-11-17-29(26)33(35)37/h8-11,14-21,34H,2-7,12-13,22-23H2,1H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388582
PNG
(CHEMBL2059751)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C28H25BrN2O4S/c29-19-13-15-20(16-14-19)36(34,35)30-17-7-1-2-8-18-31-26-22-10-4-5-11-23(22)27(32)25(26)21-9-3-6-12-24(21)28(31)33/h3-6,9-16,30H,1-2,7-8,17-18H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388590
PNG
(CHEMBL2059761)
Show SMILES [O-][N+](=O)c1ccc2c3C(=O)c4ccccc4-c3n(CCCNS(=O)(=O)c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C25H19N3O6S/c29-24-20-10-5-4-9-19(20)23-22(24)18-12-11-16(28(31)32)15-21(18)25(30)27(23)14-6-13-26-35(33,34)17-7-2-1-3-8-17/h1-5,7-12,15,26H,6,13-14H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388596
PNG
(CHEMBL2057324)
Show SMILES OCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C22H21NO3/c24-14-8-2-1-7-13-23-20-16-10-4-5-11-17(16)21(25)19(20)15-9-3-6-12-18(15)22(23)26/h3-6,9-12,24H,1-2,7-8,13-14H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388598
PNG
(CHEMBL2057326)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C26H21NO5S/c1-17-11-13-18(14-12-17)33(30,31)32-16-6-15-27-24-20-8-3-4-9-21(20)25(28)23(24)19-7-2-5-10-22(19)26(27)29/h2-5,7-14H,6,15-16H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388557
PNG
(CHEMBL2059279)
Show SMILES CS(=O)(=O)NCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C22H22N2O4S/c1-29(27,28)23-13-7-2-8-14-24-20-16-10-4-5-11-17(16)21(25)19(20)15-9-3-6-12-18(15)22(24)26/h3-6,9-12,23H,2,7-8,13-14H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388567
PNG
(CHEMBL2059434)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H30N2O4S/c33-29-25-18-10-9-17-24(25)28-27(29)23-16-8-11-19-26(23)30(34)32(28)21-13-4-2-1-3-12-20-31-37(35,36)22-14-6-5-7-15-22/h5-11,14-19,31H,1-4,12-13,20-21H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388568
PNG
(CHEMBL2059530)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCCCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H32N2O4S/c34-30-26-19-11-10-18-25(26)29-28(30)24-17-9-12-20-27(24)31(35)33(29)22-14-5-3-1-2-4-13-21-32-38(36,37)23-15-7-6-8-16-23/h6-12,15-20,32H,1-5,13-14,21-22H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388573
PNG
(CHEMBL2059536)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C27H24N2O4S/c1-18-12-14-19(15-13-18)34(32,33)28-16-6-7-17-29-25-21-9-3-4-10-22(21)26(30)24(25)20-8-2-5-11-23(20)27(29)31/h2-5,8-15,28H,6-7,16-17H2,1H3
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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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388580
PNG
(CHEMBL2059748)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C25H19BrN2O4S/c26-16-10-12-17(13-11-16)33(31,32)27-14-5-15-28-23-19-7-2-3-8-20(19)24(29)22(23)18-6-1-4-9-21(18)25(28)30/h1-4,6-13,27H,5,14-15H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388583
PNG
(CHEMBL2059752)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C29H27BrN2O4S/c30-20-14-16-21(17-15-20)37(35,36)31-18-8-2-1-3-9-19-32-27-23-11-5-6-12-24(23)28(33)26(27)22-10-4-7-13-25(22)29(32)34/h4-7,10-17,31H,1-3,8-9,18-19H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388584
PNG
(CHEMBL2059753)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C30H29BrN2O4S/c31-21-15-17-22(18-16-21)38(36,37)32-19-9-3-1-2-4-10-20-33-28-24-12-6-7-13-25(24)29(34)27(28)23-11-5-8-14-26(23)30(33)35/h5-8,11-18,32H,1-4,9-10,19-20H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388606
PNG
(CHEMBL2057319)
Show SMILES COc1cc2c3C(=O)c4ccccc4-c3n(CCCNS(=O)(=O)c3ccccc3)c(=O)c2cc1OC
Show InChI InChI=1S/C27H24N2O6S/c1-34-22-15-20-21(16-23(22)35-2)27(31)29(25-18-11-6-7-12-19(18)26(30)24(20)25)14-8-13-28-36(32,33)17-9-4-3-5-10-17/h3-7,9-12,15-16,28H,8,13-14H2,1-2H3
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388614
PNG
(CHEMBL141955)
Show SMILES OCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C21H19NO3/c23-13-7-1-6-12-22-19-15-9-3-4-10-16(15)20(24)18(19)14-8-2-5-11-17(14)21(22)25/h2-5,8-11,23H,1,6-7,12-13H2
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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 Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50366388
PNG
(NEOMYCIN | NEOMYCIN A)
Show SMILES NCC1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](N)C[C@@H](N)[C@@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@@H](N)[C@H](O)[C@H]1O
Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7+,8?,9+,10+,11-,12+,13+,14-,15+,16-,17+,18-,19+,20-,21+,22-,23-/m0/s1
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n/an/a 8.00E+6n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Tdp1


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%