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PubMed code 24800942

Compile data set for download or QSAR
Found 10 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


(Homo sapiens (Human))		BDBM50016168
PNG
(CHEMBL3261818)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)c1C(=O)c3cc4OCOc4cc3-c1n(CCCN1CCOCC1)c2=O
Show InChI InChI=1S/C32H37N3O7/c1-38-25-19-24-21(16-26(25)40-13-5-9-33-6-2-3-7-33)29-30(22-17-27-28(42-20-41-27)18-23(22)31(29)36)35(32(24)37)10-4-8-34-11-14-39-15-12-34/h16-19H,2-15,20H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1(unknown origin) using 5'-[32P]-single stranded N14Y DNA oligonucleotide after 15 mins by agarose gel electrophoresis

J Med Chem 57: 4324-36 (2014)


Article DOI: 10.1021/jm500294a
BindingDB Entry DOI: 10.7270/Q2HM5B0H
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))		BDBM50016175
PNG
(CHEMBL3261813)
Show SMILES COc1cc2c(cc1OCCCN(C)C)c1C(=O)c3cc4OCOc4cc3-c1n(CCCN1CCOCC1)c2=O
Show InChI InChI=1S/C30H35N3O7/c1-31(2)6-5-11-38-24-14-19-22(17-23(24)36-3)30(35)33(8-4-7-32-9-12-37-13-10-32)28-20-15-25-26(40-18-39-25)16-21(20)29(34)27(19)28/h14-17H,4-13,18H2,1-3H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1(unknown origin) using 5'-[32P]-single stranded N14Y DNA oligonucleotide after 15 mins by agarose gel electrophoresis

J Med Chem 57: 4324-36 (2014)


Article DOI: 10.1021/jm500294a
BindingDB Entry DOI: 10.7270/Q2HM5B0H
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))		BDBM50016172
PNG
(CHEMBL3261817)
Show SMILES COc1cc2c(cc1OCCCN1CCCCC1)c1C(=O)c3cc4OCOc4cc3-c1n(CCCN1CCOCC1)c2=O
Show InChI InChI=1S/C33H39N3O7/c1-39-26-20-25-22(17-27(26)41-14-6-10-34-7-3-2-4-8-34)30-31(23-18-28-29(43-21-42-28)19-24(23)32(30)37)36(33(25)38)11-5-9-35-12-15-40-16-13-35/h17-20H,2-16,21H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1(unknown origin) using 5'-[32P]-single stranded N14Y DNA oligonucleotide after 15 mins by agarose gel electrophoresis

J Med Chem 57: 4324-36 (2014)


Article DOI: 10.1021/jm500294a
BindingDB Entry DOI: 10.7270/Q2HM5B0H
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))		BDBM50016176
PNG
(CHEMBL3261814)
Show SMILES CCNCCCOc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(CCCN3CCOCC3)c(=O)c2cc1OC
Show InChI InChI=1S/C30H35N3O7/c1-3-31-6-4-11-38-24-14-19-22(17-23(24)36-2)30(35)33(8-5-7-32-9-12-37-13-10-32)28-20-15-25-26(40-18-39-25)16-21(20)29(34)27(19)28/h14-17,31H,3-13,18H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1(unknown origin) using 5'-[32P]-single stranded N14Y DNA oligonucleotide after 15 mins by agarose gel electrophoresis

J Med Chem 57: 4324-36 (2014)


Article DOI: 10.1021/jm500294a
BindingDB Entry DOI: 10.7270/Q2HM5B0H
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))		BDBM50016174
PNG
(CHEMBL3261812)
Show SMILES Cl.COc1cc2c(cc1OCCCN)c1C(=O)c3cc4OCOc4cc3-c1n(CCCN1CCOCC1)c2=O
Show InChI InChI=1S/C28H31N3O7.ClH/c1-34-21-15-20-17(12-22(21)36-9-2-4-29)25-26(18-13-23-24(38-16-37-23)14-19(18)27(25)32)31(28(20)33)6-3-5-30-7-10-35-11-8-30;/h12-15H,2-11,16,29H2,1H3;1H
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n/an/a 3.70E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1(unknown origin) using 5'-[32P]-single stranded N14Y DNA oligonucleotide after 15 mins by agarose gel electrophoresis

J Med Chem 57: 4324-36 (2014)


Article DOI: 10.1021/jm500294a
BindingDB Entry DOI: 10.7270/Q2HM5B0H
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))		BDBM50016177
PNG
(CHEMBL3261815)
Show SMILES COc1cc2c(cc1OCCCN1CCOCC1)c1C(=O)c3cc4OCOc4cc3-c1n(CCCN1CCOCC1)c2=O
Show InChI InChI=1S/C32H37N3O8/c1-38-25-19-24-21(16-26(25)41-11-3-5-34-9-14-40-15-10-34)29-30(22-17-27-28(43-20-42-27)18-23(22)31(29)36)35(32(24)37)6-2-4-33-7-12-39-13-8-33/h16-19H,2-15,20H2,1H3
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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 recombinant TDP1(unknown origin) using 5'-[32P]-single stranded N14Y DNA oligonucleotide after 15 mins by agarose gel electrophoresis

J Med Chem 57: 4324-36 (2014)


Article DOI: 10.1021/jm500294a
BindingDB Entry DOI: 10.7270/Q2HM5B0H
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))		BDBM50016173
PNG
(CHEMBL3261811)
Show SMILES COc1cc2c(cc1OCC=C)c1C(=O)c3cc4OCOc4cc3-c1n(CCCN1CCOCC1)c2=O
Show InChI InChI=1S/C28H28N2O7/c1-3-9-35-22-12-17-20(15-21(22)33-2)28(32)30(6-4-5-29-7-10-34-11-8-29)26-18-13-23-24(37-16-36-23)14-19(18)27(31)25(17)26/h3,12-15H,1,4-11,16H2,2H3
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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 recombinant TDP1(unknown origin) using 5'-[32P]-single stranded N14Y DNA oligonucleotide after 15 mins by agarose gel electrophoresis

J Med Chem 57: 4324-36 (2014)


Article DOI: 10.1021/jm500294a
BindingDB Entry DOI: 10.7270/Q2HM5B0H
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))		BDBM50016171
PNG
(CHEMBL3261816)
Show SMILES COc1cc2c(cc1OCCCN1CCN(C)CC1)c1C(=O)c3cc4OCOc4cc3-c1n(CCCN1CCOCC1)c2=O
Show InChI InChI=1S/C33H40N4O7/c1-34-8-10-35(11-9-34)6-4-14-42-27-17-22-25(20-26(27)40-2)33(39)37(7-3-5-36-12-15-41-16-13-36)31-23-18-28-29(44-21-43-28)19-24(23)32(38)30(22)31/h17-20H,3-16,21H2,1-2H3
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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 recombinant TDP1(unknown origin) using 5'-[32P]-single stranded N14Y DNA oligonucleotide after 15 mins by agarose gel electrophoresis

J Med Chem 57: 4324-36 (2014)


Article DOI: 10.1021/jm500294a
BindingDB Entry DOI: 10.7270/Q2HM5B0H
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))		BDBM50016169
PNG
(CHEMBL3261819)
Show SMILES COC(=O)COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(CCCN3CCOCC3)c(=O)c2cc1OC
Show InChI InChI=1S/C28H28N2O9/c1-34-20-13-19-16(10-21(20)37-14-24(31)35-2)25-26(17-11-22-23(39-15-38-22)12-18(17)27(25)32)30(28(19)33)5-3-4-29-6-8-36-9-7-29/h10-13H,3-9,14-15H2,1-2H3
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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 recombinant TDP1(unknown origin) using 5'-[32P]-single stranded N14Y DNA oligonucleotide after 15 mins by agarose gel electrophoresis

J Med Chem 57: 4324-36 (2014)


Article DOI: 10.1021/jm500294a
BindingDB Entry DOI: 10.7270/Q2HM5B0H
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))		BDBM50016170
PNG
(CHEMBL3261820)
Show SMILES COc1cc2c(cc1OCC(=O)NN)c1C(O)c3cc4OCOc4cc3-c1n(CCCN1CCOCC1)c2=O
Show InChI InChI=1S/C27H30N4O8/c1-35-19-12-18-15(9-20(19)37-13-23(32)29-28)24-25(16-10-21-22(39-14-38-21)11-17(16)26(24)33)31(27(18)34)4-2-3-30-5-7-36-8-6-30/h9-12,26,33H,2-8,13-14,28H2,1H3,(H,29,32)
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n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1(unknown origin) using 5'-[32P]-single stranded N14Y DNA oligonucleotide after 15 mins by agarose gel electrophoresis

J Med Chem 57: 4324-36 (2014)


Article DOI: 10.1021/jm500294a
BindingDB Entry DOI: 10.7270/Q2HM5B0H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%