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PubMed code 23006064

Compile data set for download or QSAR
Found 71 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))
BDBM50397314
PNG
(CHEMBL2170127)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C10H7NO4S2/c12-5-2-1-4(7(13)8(5)14)3-6-9(16)11-10(15)17-6/h1-3,12-14H,(H,11,15,16)
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n/an/a 870n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397340
PNG
(CHEMBL2170149)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(cc1)P(O)(O)=O
Show InChI InChI=1S/C10H8NO4PS2/c12-10-11-9(17)8(18-10)5-6-1-3-7(4-2-6)16(13,14)15/h1-5H,(H,11,12,17)(H2,13,14,15)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397321
PNG
(CHEMBL2170121)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C10H7NO3S2/c12-6-2-1-5(3-7(6)13)4-8-9(15)11-10(14)16-8/h1-4,12-13H,(H,11,14,15)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397314
PNG
(CHEMBL2170127)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C10H7NO4S2/c12-5-2-1-4(7(13)8(5)14)3-6-9(16)11-10(15)17-6/h1-3,12-14H,(H,11,15,16)
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397316
PNG
(CHEMBL2170125)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(O)cc1O
Show InChI InChI=1S/C10H7NO3S2/c12-6-2-1-5(7(13)4-6)3-8-9(15)11-10(14)16-8/h1-4,12-13H,(H,11,14,15)
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397317
PNG
(CHEMBL2170124)
Show SMILES OC1=NC(=S)C(S1)=Cc1cccc(O)c1O
Show InChI InChI=1S/C10H7NO3S2/c12-6-3-1-2-5(8(6)13)4-7-9(15)11-10(14)16-7/h1-4,12-13H,(H,11,14,15)
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n/an/a 5.80E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397341
PNG
(CHEMBL2170137)
Show SMILES COC(=O)c1ccc(C=C2SC(O)=NC2=S)cc1
Show InChI InChI=1S/C12H9NO3S2/c1-16-11(14)8-4-2-7(3-5-8)6-9-10(17)13-12(15)18-9/h2-6H,1H3,(H,13,15,17)
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n/an/a 6.70E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397343
PNG
(CHEMBL2170135)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C11H7NO3S2/c13-10(14)7-3-1-6(2-4-7)5-8-9(16)12-11(15)17-8/h1-5H,(H,13,14)(H,12,15,16)/p-1
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 expressed in Tdp1 knockout chicken DT40 cells using 5'-32P-labeled 5'-GATCTAAAAGACTT-pY-3' as substrate after 15...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397315
PNG
(CHEMBL2170126)
Show SMILES OC1=NC(=S)C(S1)=Cc1cc(O)ccc1O
Show InChI InChI=1S/C10H7NO3S2/c12-6-1-2-7(13)5(3-6)4-8-9(15)11-10(14)16-8/h1-4,12-13H,(H,11,14,15)
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397343
PNG
(CHEMBL2170135)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C11H7NO3S2/c13-10(14)7-3-1-6(2-4-7)5-8-9(16)12-11(15)17-8/h1-5H,(H,13,14)(H,12,15,16)/p-1
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n/an/a 7.80E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397342
PNG
(CHEMBL2170136)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccccc1C([O-])=O
Show InChI InChI=1S/C11H7NO3S2/c13-10(14)7-4-2-1-3-6(7)5-8-9(16)12-11(15)17-8/h1-5H,(H,13,14)(H,12,15,16)/p-1
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n/an/a 8.50E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397320
PNG
(CHEMBL2170122)
Show SMILES OC(=O)c1ccc(C=C2SC(O)=NC2=S)cc1
Show InChI InChI=1S/C11H7NO3S2/c13-10(14)7-3-1-6(2-4-7)5-8-9(16)12-11(15)17-8/h1-5H,(H,13,14)(H,12,15,16)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 expressed in Tdp1 knockout chicken DT40 cells using 5'-32P-labeled 5'-GATCTAAAAGACTT-pY-3' as substrate after 15...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397310
PNG
(CHEMBL2170131)
Show SMILES COc1cc(C=C2SC(O)=NC2=S)ccc1O
Show InChI InChI=1S/C11H9NO3S2/c1-15-8-4-6(2-3-7(8)13)5-9-10(16)12-11(14)17-9/h2-5,13H,1H3,(H,12,14,16)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM4363
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...)
Show SMILES NC(=S)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C10H8N2O2S/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397318
PNG
(CHEMBL2170123)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C12H8N2OS2/c15-12-14-11(16)10(17-12)6-7-1-2-9-8(5-7)3-4-13-9/h1-6,13H,(H,14,15,16)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397335
PNG
(CHEMBL2170154)
Show SMILES NC(=S)C(=C\c1ccc(cc1)C(O)=O)\C#N
Show InChI InChI=1S/C11H8N2O2S/c12-6-9(10(13)16)5-7-1-3-8(4-2-7)11(14)15/h1-5H,(H2,13,16)(H,14,15)/b9-5+
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397327
PNG
(CHEMBL2170162)
Show SMILES Oc1ccc(\C=C2/N(Cc3ccccc3)C(=S)NC2=O)cc1O
Show InChI InChI=1S/C17H14N2O3S/c20-14-7-6-12(9-15(14)21)8-13-16(22)18-17(23)19(13)10-11-4-2-1-3-5-11/h1-9,20-21H,10H2,(H,18,22,23)/b13-8-
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397357
PNG
(CHEMBL2170134)
Show SMILES OC(=O)c1cccc(C=C2SC(O)=NC2=S)c1
Show InChI InChI=1S/C11H7NO3S2/c13-10(14)7-3-1-2-6(4-7)5-8-9(16)12-11(15)17-8/h1-5H,(H,13,14)(H,12,15,16)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397344
PNG
(CHEMBL2170133)
Show SMILES OC(=O)c1ccccc1C=C1SC(O)=NC1=S
Show InChI InChI=1S/C11H7NO3S2/c13-10(14)7-4-2-1-3-6(7)5-8-9(16)12-11(15)17-8/h1-5H,(H,13,14)(H,12,15,16)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397320
PNG
(CHEMBL2170122)
Show SMILES OC(=O)c1ccc(C=C2SC(O)=NC2=S)cc1
Show InChI InChI=1S/C11H7NO3S2/c13-10(14)7-3-1-6(2-4-7)5-8-9(16)12-11(15)17-8/h1-5H,(H,13,14)(H,12,15,16)
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50397314
PNG
(CHEMBL2170127)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C10H7NO4S2/c12-5-2-1-4(7(13)8(5)14)3-6-9(16)11-10(15)17-6/h1-3,12-14H,(H,11,15,16)
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp2


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397339
PNG
(CHEMBL2170150)
Show SMILES Oc1ccc(\C=C(/C#N)C(=S)NCc2ccccc2)cc1O
Show InChI InChI=1S/C17H14N2O2S/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397354
PNG
(CHEMBL2170139)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H6N2O3S2/c13-10-11-9(16)8(17-10)5-6-1-3-7(4-2-6)12(14)15/h1-5H,(H,11,13,16)
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397346
PNG
(CHEMBL2170147)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccccc1S(O)(=O)=O
Show InChI InChI=1S/C10H7NO4S3/c12-10-11-9(16)7(17-10)5-6-3-1-2-4-8(6)18(13,14)15/h1-5H,(H,11,12,16)(H,13,14,15)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397312
PNG
(CHEMBL2170129)
Show SMILES OC1=NC(=S)C(S1)=Cc1cccc(O)c1
Show InChI InChI=1S/C10H7NO2S2/c12-7-3-1-2-6(4-7)5-8-9(14)11-10(13)15-8/h1-5,12H,(H,11,13,14)
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397319
PNG
(CHEMBL538427)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(F)cc1
Show InChI InChI=1S/C10H6FNOS2/c11-7-3-1-6(2-4-7)5-8-9(14)12-10(13)15-8/h1-5H,(H,12,13,14)
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397353
PNG
(CHEMBL2170140)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(cc1)C#N
Show InChI InChI=1S/C11H6N2OS2/c12-6-8-3-1-7(2-4-8)5-9-10(15)13-11(14)16-9/h1-5H,(H,13,14,15)
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397345
PNG
(CHEMBL2170148)
Show SMILES CCOP(=O)(OCC)c1ccc(C=C2SC(O)=NC2=S)cc1
Show InChI InChI=1S/C14H16NO4PS2/c1-3-18-20(17,19-4-2)11-7-5-10(6-8-11)9-12-13(21)15-14(16)22-12/h5-9H,3-4H2,1-2H3,(H,15,16,21)
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397355
PNG
(CHEMBL550345)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(Br)cc1
Show InChI InChI=1S/C10H6BrNOS2/c11-7-3-1-6(2-4-7)5-8-9(14)12-10(13)15-8/h1-5H,(H,12,13,14)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
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 3.10E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397348
PNG
(CHEMBL2170145)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C11H7N5OS2/c17-11-12-10(18)8(19-11)5-6-1-3-7(4-2-6)9-13-15-16-14-9/h1-5H,(H,12,17,18)(H,13,14,15,16)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397349
PNG
(CHEMBL2170144)
Show SMILES OC1=NC(=S)C(S1)=Cc1csc2ccccc12
Show InChI InChI=1S/C12H7NOS3/c14-12-13-11(15)10(17-12)5-7-6-16-9-4-2-1-3-8(7)9/h1-6H,(H,13,14,15)
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397311
PNG
(CHEMBL2170130)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccccc1O
Show InChI InChI=1S/C10H7NO2S2/c12-7-4-2-1-3-6(7)5-8-9(14)11-10(13)15-8/h1-5,12H,(H,11,13,14)
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397314
PNG
(CHEMBL2170127)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C10H7NO4S2/c12-5-2-1-4(7(13)8(5)14)3-6-9(16)11-10(15)17-6/h1-3,12-14H,(H,11,15,16)
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 expressed in Tdp1 knockout chicken DT40 cells using 5'-32P-labeled 5'-GATCTAAAAGACTT-pY-3' as substrate after 15...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397341
PNG
(CHEMBL2170137)
Show SMILES COC(=O)c1ccc(C=C2SC(O)=NC2=S)cc1
Show InChI InChI=1S/C12H9NO3S2/c1-16-11(14)8-4-2-7(3-5-8)6-9-10(17)13-12(15)18-9/h2-6H,1H3,(H,13,15,17)
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 expressed in Tdp1 knockout chicken DT40 cells using 5'-32P-labeled 5'-GATCTAAAAGACTT-pY-3' as substrate after 15...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397313
PNG
(CHEMBL2170128)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(O)cc1
Show InChI InChI=1S/C10H7NO2S2/c12-7-3-1-6(2-4-7)5-8-9(14)11-10(13)15-8/h1-5,12H,(H,11,13,14)
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM51138
PNG
((5Z)-5-[(1-methyl-3-indolyl)methylidene]-4-sulfany...)
Show SMILES Cn1cc(C=C2SC(O)=NC2=S)c2ccccc12
Show InChI InChI=1S/C13H10N2OS2/c1-15-7-8(9-4-2-3-5-10(9)15)6-11-12(17)14-13(16)18-11/h2-7H,1H3,(H,14,16,17)
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397321
PNG
(CHEMBL2170121)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C10H7NO3S2/c12-6-2-1-5(3-7(6)13)4-8-9(15)11-10(14)16-8/h1-4,12-13H,(H,11,14,15)
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 expressed in Tdp1 knockout chicken DT40 cells using 5'-32P-labeled 5'-GATCTAAAAGACTT-pY-3' as substrate after 15...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397352
PNG
(CHEMBL2170141)
Show SMILES OC1=NC(=S)C(S1)=Cc1cccnc1
Show InChI InChI=1S/C9H6N2OS2/c12-9-11-8(13)7(14-9)4-6-2-1-3-10-5-6/h1-5H,(H,11,12,13)
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397350
PNG
(CHEMBL2170143)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C14H9NOS3/c16-14-15-13(17)12(19-14)8-10-6-7-11(18-10)9-4-2-1-3-5-9/h1-8H,(H,15,16,17)
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n/an/a 4.60E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397309
PNG
(CHEMBL2170132)
Show SMILES COc1cc(C=C2SC(O)=NC2=S)cc(OC)c1O
Show InChI InChI=1S/C12H11NO4S2/c1-16-7-3-6(4-8(17-2)10(7)14)5-9-11(18)13-12(15)19-9/h3-5,14H,1-2H3,(H,13,15,18)
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397356
PNG
(CHEMBL2170138)
Show SMILES COC(=O)c1cccc(C=C2SC(O)=NC2=S)c1
Show InChI InChI=1S/C12H9NO3S2/c1-16-11(14)8-4-2-3-7(5-8)6-9-10(17)13-12(15)18-9/h2-6H,1H3,(H,13,15,17)
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n/an/a 5.10E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397340
PNG
(CHEMBL2170149)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(cc1)P(O)(O)=O
Show InChI InChI=1S/C10H8NO4PS2/c12-10-11-9(17)8(18-10)5-6-1-3-7(4-2-6)16(13,14)15/h1-5H,(H,11,12,17)(H2,13,14,15)
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 expressed in Tdp1 knockout chicken DT40 cells using 5'-32P-labeled 5'-GATCTAAAAGACTT-pY-3' as substrate after 15...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397331
PNG
(CHEMBL2170158)
Show SMILES Oc1ccc(C=C2NC(=S)N(C2=O)c2ccccc2)cc1O
Show InChI InChI=1S/C16H12N2O3S/c19-13-7-6-10(9-14(13)20)8-12-15(21)18(16(22)17-12)11-4-2-1-3-5-11/h1-9,19-20H,(H,17,22)
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n/an/a 7.40E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397351
PNG
(CHEMBL2170142)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccncc1
Show InChI InChI=1S/C9H6N2OS2/c12-9-11-8(13)7(14-9)5-6-1-3-10-4-2-6/h1-5H,(H,11,12,13)
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397316
PNG
(CHEMBL2170125)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(O)cc1O
Show InChI InChI=1S/C10H7NO3S2/c12-6-2-1-5(7(13)4-6)3-8-9(15)11-10(14)16-8/h1-4,12-13H,(H,11,14,15)
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n/an/a 7.60E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 expressed in Tdp1 knockout chicken DT40 cells using 5'-32P-labeled 5'-GATCTAAAAGACTT-pY-3' as substrate after 15...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397315
PNG
(CHEMBL2170126)
Show SMILES OC1=NC(=S)C(S1)=Cc1cc(O)ccc1O
Show InChI InChI=1S/C10H7NO3S2/c12-6-1-2-7(13)5(3-6)4-8-9(15)11-10(14)16-8/h1-4,12-13H,(H,11,14,15)
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n/an/a 7.60E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 expressed in Tdp1 knockout chicken DT40 cells using 5'-32P-labeled 5'-GATCTAAAAGACTT-pY-3' as substrate after 15...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50359685
PNG
(CHEMBL1929274)
Show SMILES OC(=O)c1ccc(C=C2SC(O)=NC2=O)cc1
Show InChI InChI=1S/C11H7NO4S/c13-9-8(17-11(16)12-9)5-6-1-3-7(4-2-6)10(14)15/h1-5H,(H,14,15)(H,12,13,16)
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n/an/a>1.11E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397347
PNG
(CHEMBL2170146)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C11H7N5OS2/c17-11-12-10(18)8(19-11)5-6-3-1-2-4-7(6)9-13-15-16-14-9/h1-5H,(H,12,17,18)(H,13,14,15,16)
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n/an/a 1.11E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397328
PNG
(CHEMBL2170161)
Show SMILES O=C1N(C(=S)NC1=Cc1ccc2[nH]ccc2c1)c1ccccc1
Show InChI InChI=1S/C18H13N3OS/c22-17-16(11-12-6-7-15-13(10-12)8-9-19-15)20-18(23)21(17)14-4-2-1-3-5-14/h1-11,19H,(H,20,23)
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n/an/a 1.11E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397322
PNG
(CHEMBL2170120)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C12H8N2O2S/c15-11-10(17-12(16)14-11)6-7-1-2-9-8(5-7)3-4-13-9/h1-6,13H,(H,14,15,16)
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n/an/a>1.11E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397324
PNG
(CHEMBL2170165)
Show SMILES O=C1NC(=S)N(Cc2ccccc2)\C1=C/c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H15N3OS/c23-18-17(11-14-6-7-16-15(10-14)8-9-20-16)22(19(24)21-18)12-13-4-2-1-3-5-13/h1-11,20H,12H2,(H,21,23,24)/b17-11-
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n/an/a 1.11E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397325
PNG
(CHEMBL2170164)
Show SMILES Fc1ccc(\C=C2/N(Cc3ccccc3)C(=S)NC2=O)cc1
Show InChI InChI=1S/C17H13FN2OS/c18-14-8-6-12(7-9-14)10-15-16(21)19-17(22)20(15)11-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,21,22)/b15-10-
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n/an/a 1.11E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397323
PNG
(CHEMBL1957774)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C10H7NO4S/c12-6-2-1-5(3-7(6)13)4-8-9(14)11-10(15)16-8/h1-4,12-13H,(H,11,14,15)
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n/an/a 1.11E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397344
PNG
(CHEMBL2170133)
Show SMILES OC(=O)c1ccccc1C=C1SC(O)=NC1=S
Show InChI InChI=1S/C11H7NO3S2/c13-10(14)7-4-2-1-3-6(7)5-8-9(16)12-11(15)17-8/h1-5H,(H,13,14)(H,12,15,16)
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n/an/a 1.38E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 expressed in Tdp1 knockout chicken DT40 cells using 5'-32P-labeled 5'-GATCTAAAAGACTT-pY-3' as substrate after 15...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397317
PNG
(CHEMBL2170124)
Show SMILES OC1=NC(=S)C(S1)=Cc1cccc(O)c1O
Show InChI InChI=1S/C10H7NO3S2/c12-6-3-1-2-5(8(6)13)4-7-9(15)11-10(14)16-7/h1-4,12-13H,(H,11,14,15)
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n/an/a 2.20E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 expressed in Tdp1 knockout chicken DT40 cells using 5'-32P-labeled 5'-GATCTAAAAGACTT-pY-3' as substrate after 15...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397342
PNG
(CHEMBL2170136)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccccc1C([O-])=O
Show InChI InChI=1S/C11H7NO3S2/c13-10(14)7-4-2-1-3-6(7)5-8-9(16)12-11(15)17-8/h1-5H,(H,13,14)(H,12,15,16)/p-1
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n/an/a 2.80E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 expressed in Tdp1 knockout chicken DT40 cells using 5'-32P-labeled 5'-GATCTAAAAGACTT-pY-3' as substrate after 15...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM4341
PNG
(2-[(3,4,5-trihydroxyphenyl)methylidene]propanedini...)
Show SMILES Oc1cc(C=C(C#N)C#N)cc(O)c1O
Show InChI InChI=1S/C10H6N2O3/c11-4-7(5-12)1-6-2-8(13)10(15)9(14)3-6/h1-3,13-15H
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n/an/a>3.33E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397326
PNG
(CHEMBL2170163)
Show SMILES OC(=O)c1ccc(\C=C2/N(Cc3ccccc3)C(=S)NC2=O)cc1
Show InChI InChI=1S/C18H14N2O3S/c21-16-15(10-12-6-8-14(9-7-12)17(22)23)20(18(24)19-16)11-13-4-2-1-3-5-13/h1-10H,11H2,(H,22,23)(H,19,21,24)/b15-10-
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n/an/a>3.33E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397329
PNG
(CHEMBL2170160)
Show SMILES Fc1ccc(C=C2NC(=S)N(C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H11FN2OS/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(21)18-14)13-4-2-1-3-5-13/h1-10H,(H,18,21)
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n/an/a>3.33E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397332
PNG
(CHEMBL2170157)
Show SMILES NC(=S)C(=C\c1ccc2ccccc2c1)\C#N
Show InChI InChI=1S/C14H10N2S/c15-9-13(14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,(H2,16,17)/b13-8+
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n/an/a>3.33E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM4352
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic a...)
Show SMILES OC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C10H7NO4/c11-5-7(10(14)15)3-6-1-2-8(12)9(13)4-6/h1-4,12-13H,(H,14,15)/b7-3+
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n/an/a>3.33E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM4301
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...)
Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+
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n/an/a>3.33E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM4313
PNG
((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1O
Show InChI InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+
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n/an/a>3.33E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397338
PNG
(CHEMBL2170151)
Show SMILES NC(=S)C(=C\c1ccc(F)cc1)\C#N
Show InChI InChI=1S/C10H7FN2S/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)/b8-5+
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n/an/a>3.33E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397337
PNG
(CHEMBL2170152)
Show SMILES NC(=S)C(=C\c1ccc(cc1)[N+]([O-])=O)\C#N
Show InChI InChI=1S/C10H7N3O2S/c11-6-8(10(12)16)5-7-1-3-9(4-2-7)13(14)15/h1-5H,(H2,12,16)/b8-5+
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n/an/a>3.33E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397336
PNG
(CHEMBL2170153)
Show SMILES NC(=S)C(=C\c1ccc(Br)cc1)\C#N
Show InChI InChI=1S/C10H7BrN2S/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)/b8-5+
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n/an/a>3.33E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397330
PNG
(CHEMBL2170159)
Show SMILES OC(=O)c1ccc(C=C2NC(=S)N(C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H12N2O3S/c20-15-14(10-11-6-8-12(9-7-11)16(21)22)18-17(23)19(15)13-4-2-1-3-5-13/h1-10H,(H,18,23)(H,21,22)
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n/an/a>3.33E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM26640
PNG
((5Z)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolid...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(F)cc1
Show InChI InChI=1S/C10H6FNO2S/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)
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n/an/a>3.33E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397334
PNG
(CHEMBL2170155)
Show SMILES CC(=O)Nc1ccc(\C=C(/C#N)C(N)=S)cc1
Show InChI InChI=1S/C12H11N3OS/c1-8(16)15-11-4-2-9(3-5-11)6-10(7-13)12(14)17/h2-6H,1H3,(H2,14,17)(H,15,16)/b10-6+
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n/an/a>3.33E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397333
PNG
(CHEMBL2170156)
Show SMILES NC(=S)C(=C\c1ccc2[nH]ccc2c1)\C#N
Show InChI InChI=1S/C12H9N3S/c13-7-10(12(14)16)6-8-1-2-11-9(5-8)3-4-15-11/h1-6,15H,(H2,14,16)/b10-6+
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n/an/a>3.33E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%