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PubMed code 25819333

Compile data set for download or QSAR
Found 11 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))
BDBM50067508
PNG
(CHEMBL3401896)
Show SMILES CCCCN(CCCC)CC(=O)Nc1cc(cc2SSSSSc12)C(F)(F)F
Show InChI InChI=1S/C17H23F3N2OS5/c1-3-5-7-22(8-6-4-2)11-15(23)21-13-9-12(17(18,19)20)10-14-16(13)25-27-28-26-24-14/h9-10H,3-8,11H2,1-2H3,(H,21,23)
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PubMed
n/an/a 220n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) assessed as increase in fluorescence


Bioorg Med Chem 23: 2044-52 (2015)


Article DOI: 10.1016/j.bmc.2015.03.020
BindingDB Entry DOI: 10.7270/Q2ZW1NMK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50067510
PNG
(CHEMBL3400167)
Show SMILES FC(F)(F)c1cc(NC(=O)CN2CCCCC2)c2SSSSSc2c1
Show InChI InChI=1S/C14H15F3N2OS5/c15-14(16,17)9-6-10(13-11(7-9)21-23-25-24-22-13)18-12(20)8-19-4-2-1-3-5-19/h6-7H,1-5,8H2,(H,18,20)
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Article
PubMed
n/an/a 1.28E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) assessed as increase in fluorescence


Bioorg Med Chem 23: 2044-52 (2015)


Article DOI: 10.1016/j.bmc.2015.03.020
BindingDB Entry DOI: 10.7270/Q2ZW1NMK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50067505
PNG
(CHEMBL3401899)
Show SMILES FC(F)(F)c1cc(NC(=O)CCN2CCOCC2)c2SSSSSc2c1
Show InChI InChI=1S/C14H15F3N2O2S5/c15-14(16,17)9-7-10(13-11(8-9)22-24-26-25-23-13)18-12(20)1-2-19-3-5-21-6-4-19/h7-8H,1-6H2,(H,18,20)
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PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) assessed as increase in fluorescence


Bioorg Med Chem 23: 2044-52 (2015)


Article DOI: 10.1016/j.bmc.2015.03.020
BindingDB Entry DOI: 10.7270/Q2ZW1NMK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50067509
PNG
(CHEMBL3401895)
Show SMILES FC(F)(F)c1cc(NC(=O)CN2CCOCC2)c2SSSSSc2c1
Show InChI InChI=1S/C13H13F3N2O2S5/c14-13(15,16)8-5-9(12-10(6-8)21-23-25-24-22-12)17-11(19)7-18-1-3-20-4-2-18/h5-6H,1-4,7H2,(H,17,19)
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n/an/a 1.62E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) assessed as increase in fluorescence


Bioorg Med Chem 23: 2044-52 (2015)


Article DOI: 10.1016/j.bmc.2015.03.020
BindingDB Entry DOI: 10.7270/Q2ZW1NMK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50067506
PNG
(CHEMBL3401898)
Show SMILES FC(F)(F)c1cc(NC(=O)CCN2CCCCC2)c2SSSSSc2c1
Show InChI InChI=1S/C15H17F3N2OS5/c16-15(17,18)10-8-11(14-12(9-10)22-24-26-25-23-14)19-13(21)4-7-20-5-2-1-3-6-20/h8-9H,1-7H2,(H,19,21)
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PubMed
n/an/a 3.66E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) assessed as increase in fluorescence


Bioorg Med Chem 23: 2044-52 (2015)


Article DOI: 10.1016/j.bmc.2015.03.020
BindingDB Entry DOI: 10.7270/Q2ZW1NMK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50067511
PNG
(CHEMBL3401894)
Show SMILES FC(F)(F)c1cc(NC(=O)CN2CCCC2)c2SSSSSc2c1
Show InChI InChI=1S/C13H13F3N2OS5/c14-13(15,16)8-5-9(12-10(6-8)20-22-24-23-21-12)17-11(19)7-18-3-1-2-4-18/h5-6H,1-4,7H2,(H,17,19)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) assessed as increase in fluorescence


Bioorg Med Chem 23: 2044-52 (2015)


Article DOI: 10.1016/j.bmc.2015.03.020
BindingDB Entry DOI: 10.7270/Q2ZW1NMK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50067507
PNG
(CHEMBL3401897)
Show SMILES FC(F)(F)c1cc(NC(=O)CCN2CCCC2)c2SSSSSc2c1
Show InChI InChI=1S/C14H15F3N2OS5/c15-14(16,17)9-7-10(13-11(8-9)21-23-25-24-22-13)18-12(20)3-6-19-4-1-2-5-19/h7-8H,1-6H2,(H,18,20)
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n/an/a 6.03E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) assessed as increase in fluorescence


Bioorg Med Chem 23: 2044-52 (2015)


Article DOI: 10.1016/j.bmc.2015.03.020
BindingDB Entry DOI: 10.7270/Q2ZW1NMK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50067503
PNG
(CHEMBL3401900)
Show SMILES O=C(CN1CCCC1)Nc1ccccc1
Show InChI InChI=1S/C12H16N2O/c15-12(10-14-8-4-5-9-14)13-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,13,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) assessed as increase in fluorescence


Bioorg Med Chem 23: 2044-52 (2015)


Article DOI: 10.1016/j.bmc.2015.03.020
BindingDB Entry DOI: 10.7270/Q2ZW1NMK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50067504
PNG
(CHEMBL3398246)
Show SMILES FC(F)(F)C(=O)Nc1cc(cc2SSSSSc12)C(F)(F)F
Show InChI InChI=1S/C9H3F6NOS5/c10-8(11,12)3-1-4(16-7(17)9(13,14)15)6-5(2-3)18-20-22-21-19-6/h1-2H,(H,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) assessed as increase in fluorescence


Bioorg Med Chem 23: 2044-52 (2015)


Article DOI: 10.1016/j.bmc.2015.03.020
BindingDB Entry DOI: 10.7270/Q2ZW1NMK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50067502
PNG
(CHEMBL1488365)
Show SMILES O=C(CN1CCCCC1)Nc1ccccc1
Show InChI InChI=1S/C13H18N2O/c16-13(11-15-9-5-2-6-10-15)14-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,14,16)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) assessed as increase in fluorescence


Bioorg Med Chem 23: 2044-52 (2015)


Article DOI: 10.1016/j.bmc.2015.03.020
BindingDB Entry DOI: 10.7270/Q2ZW1NMK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50067512
PNG
(CHEMBL3401893)
Show SMILES Nc1cc(cc2SSSSSc12)C(F)(F)F
Show InChI InChI=1S/C7H4F3NS5/c8-7(9,10)3-1-4(11)6-5(2-3)12-14-16-15-13-6/h1-2H,11H2
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) assessed as increase in fluorescence


Bioorg Med Chem 23: 2044-52 (2015)


Article DOI: 10.1016/j.bmc.2015.03.020
BindingDB Entry DOI: 10.7270/Q2ZW1NMK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%