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There are 27 purchasable compounds for target: Tyrosyl-DNA phosphodiesterase 1

Compile data set for download or QSAR
Wt: 202.1
BDBM4341
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Wt: 205.1
BDBM4352
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Wt: 220.2
BDBM4363
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Wt: 204.1
BDBM4301
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Wt: 294.3
BDBM4313
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Wt: 223.2
BDBM26640
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Wt: 249.2
BDBM50359685
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Wt: 614.6
BDBM50366388
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Wt: 334.7
BDBM50378672
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Wt: 412.4
BDBM50378674
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Wt: 391.3
BDBM50378675
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Wt: 389.3
BDBM50378676
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Wt: 343.3
BDBM50378677
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Wt: 478.4
BDBM50378678
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Wt: 458.5
BDBM50378679
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Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 4341,4352,4363,4301,4313,26640,50359685,50366388,50378672,50378674,50378675,50378676,50378677,50378678,50378679   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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)/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))
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=1/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-/s2
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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
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))
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))
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))
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))
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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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))
BDBM50378672
PNG
(CHEMBL601298 | NSC-120686)
Show SMILES Fc1cccc(Cl)c1\C=N\N=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C20H12ClFN2/c21-18-10-5-11-19(22)17(18)12-23-24-20-15-8-3-1-6-13(15)14-7-2-4-9-16(14)20/h1-12H/b23-12+
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n/an/a 1.40E+4n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay


Bioorg Med Chem 18: 182-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.008
BindingDB Entry DOI: 10.7270/Q2ZS2XGF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50378674
PNG
(CHEMBL601283)
Show SMILES CCOC(=O)CN(C(=O)COC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1
Show InChI InChI=1S/C22H21FN2O5/c1-2-29-22(28)13-25(17-9-7-16(23)8-10-17)20(26)14-30-21(27)11-15-12-24-19-6-4-3-5-18(15)19/h3-10,12,24H,2,11,13-14H2,1H3
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n/an/a 7.94E+3n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.01% Tween-20


Bioorg Med Chem 18: 182-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.008
BindingDB Entry DOI: 10.7270/Q2ZS2XGF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50378674
PNG
(CHEMBL601283)
Show SMILES CCOC(=O)CN(C(=O)COC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1
Show InChI InChI=1S/C22H21FN2O5/c1-2-29-22(28)13-25(17-9-7-16(23)8-10-17)20(26)14-30-21(27)11-15-12-24-19-6-4-3-5-18(15)19/h3-10,12,24H,2,11,13-14H2,1H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.05% Tween-20


Bioorg Med Chem 18: 182-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.008
BindingDB Entry DOI: 10.7270/Q2ZS2XGF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50378675
PNG
(CHEMBL591964)
Show SMILES CCOc1cccc2cc(C(=O)OCC(=O)c3c[nH]c4ccccc34)c(=O)oc12
Show InChI InChI=1S/C22H17NO6/c1-2-27-19-9-5-6-13-10-15(22(26)29-20(13)19)21(25)28-12-18(24)16-11-23-17-8-4-3-7-14(16)17/h3-11,23H,2,12H2,1H3
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n/an/a 1.41E+4n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.01% Tween-20


Bioorg Med Chem 18: 182-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.008
BindingDB Entry DOI: 10.7270/Q2ZS2XGF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50378675
PNG
(CHEMBL591964)
Show SMILES CCOc1cccc2cc(C(=O)OCC(=O)c3c[nH]c4ccccc34)c(=O)oc12
Show InChI InChI=1S/C22H17NO6/c1-2-27-19-9-5-6-13-10-15(22(26)29-20(13)19)21(25)28-12-18(24)16-11-23-17-8-4-3-7-14(16)17/h3-11,23H,2,12H2,1H3
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n/an/a 2.24E+4n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.05% Tween-20


Bioorg Med Chem 18: 182-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.008
BindingDB Entry DOI: 10.7270/Q2ZS2XGF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50378676
PNG
(CHEMBL591965)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)OC(C(=O)NC2CC2)c2ccccc2)cc1
Show InChI InChI=1/C21H18F3NO3/c22-21(23,24)16-9-6-14(7-10-16)8-13-18(26)28-19(15-4-2-1-3-5-15)20(27)25-17-11-12-17/h1-10,13,17,19H,11-12H2,(H,25,27)/b13-8+
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n/an/a 3.16E+4n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.01% Tween-20


Bioorg Med Chem 18: 182-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.008
BindingDB Entry DOI: 10.7270/Q2ZS2XGF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50378676
PNG
(CHEMBL591965)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)OC(C(=O)NC2CC2)c2ccccc2)cc1
Show InChI InChI=1/C21H18F3NO3/c22-21(23,24)16-9-6-14(7-10-16)8-13-18(26)28-19(15-4-2-1-3-5-15)20(27)25-17-11-12-17/h1-10,13,17,19H,11-12H2,(H,25,27)/b13-8+
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n/an/a 4.47E+4n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.05% Tween-20


Bioorg Med Chem 18: 182-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.008
BindingDB Entry DOI: 10.7270/Q2ZS2XGF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50378677
PNG
(CHEMBL591966)
Show SMILES O=C(OCc1cn2ccccc2n1)c1c2CCCc2nc2ccccc12
Show InChI InChI=1S/C21H17N3O2/c25-21(26-13-14-12-24-11-4-3-10-19(24)22-14)20-15-6-1-2-8-17(15)23-18-9-5-7-16(18)20/h1-4,6,8,10-12H,5,7,9,13H2
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n/an/a 3.55E+4n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.01% Tween-20


Bioorg Med Chem 18: 182-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.008
BindingDB Entry DOI: 10.7270/Q2ZS2XGF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50378677
PNG
(CHEMBL591966)
Show SMILES O=C(OCc1cn2ccccc2n1)c1c2CCCc2nc2ccccc12
Show InChI InChI=1S/C21H17N3O2/c25-21(26-13-14-12-24-11-4-3-10-19(24)22-14)20-15-6-1-2-8-17(15)23-18-9-5-7-16(18)20/h1-4,6,8,10-12H,5,7,9,13H2
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n/an/a 5.01E+4n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.05% Tween-20


Bioorg Med Chem 18: 182-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.008
BindingDB Entry DOI: 10.7270/Q2ZS2XGF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50378678
PNG
(CHEMBL590542)
Show SMILES CCOC(=O)c1sc(nc1C)N1C(c2c(oc3ccc(F)cc3c2=O)C1=O)c1ccc(C)cc1
Show InChI InChI=1/C25H19FN2O5S/c1-4-32-24(31)22-13(3)27-25(34-22)28-19(14-7-5-12(2)6-8-14)18-20(29)16-11-15(26)9-10-17(16)33-21(18)23(28)30/h5-11,19H,4H2,1-3H3
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n/an/a 4.47E+4n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.01% Tween-20


Bioorg Med Chem 18: 182-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.008
BindingDB Entry DOI: 10.7270/Q2ZS2XGF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50378678
PNG
(CHEMBL590542)
Show SMILES CCOC(=O)c1sc(nc1C)N1C(c2c(oc3ccc(F)cc3c2=O)C1=O)c1ccc(C)cc1
Show InChI InChI=1/C25H19FN2O5S/c1-4-32-24(31)22-13(3)27-25(34-22)28-19(14-7-5-12(2)6-8-14)18-20(29)16-11-15(26)9-10-17(16)33-21(18)23(28)30/h5-11,19H,4H2,1-3H3
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n/an/a 5.01E+4n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.05% Tween-20


Bioorg Med Chem 18: 182-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.008
BindingDB Entry DOI: 10.7270/Q2ZS2XGF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50378679
PNG
(CHEMBL590803)
Show SMILES COC(=O)c1ccc(COc2ccc(cc2OC)C2Nc3ccccc3C(=O)N2C2CC2)cc1
Show InChI InChI=1/C27H26N2O5/c1-32-24-15-19(11-14-23(24)34-16-17-7-9-18(10-8-17)27(31)33-2)25-28-22-6-4-3-5-21(22)26(30)29(25)20-12-13-20/h3-11,14-15,20,25,28H,12-13,16H2,1-2H3
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UniChem
Article
PubMed
n/an/a 4.47E+4n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.01% Tween-20


Bioorg Med Chem 18: 182-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.008
BindingDB Entry DOI: 10.7270/Q2ZS2XGF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50378679
PNG
(CHEMBL590803)
Show SMILES COC(=O)c1ccc(COc2ccc(cc2OC)C2Nc3ccccc3C(=O)N2C2CC2)cc1
Show InChI InChI=1/C27H26N2O5/c1-32-24-15-19(11-14-23(24)34-16-17-7-9-18(10-8-17)27(31)33-2)25-28-22-6-4-3-5-21(22)26(30)29(25)20-12-13-20/h3-11,14-15,20,25,28H,12-13,16H2,1-2H3
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n/an/a 8.91E+4n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.05% Tween-20


Bioorg Med Chem 18: 182-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.008
BindingDB Entry DOI: 10.7270/Q2ZS2XGF
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)/b8-5-
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Article
PubMed
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