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PubMed code 24517248

Compile data set for download or QSAR
Found 20 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))
BDBM50449148
PNG
(CHEMBL3127450)
Show SMILES OC[C@@H](O)[C@H](O)[C@H](O)Cn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C21H18N2O8/c24-9-16(26)20(28)15(25)8-22-18-12-3-1-2-4-13(12)19(27)17(18)11-6-5-10(23(30)31)7-14(11)21(22)29/h1-7,15-16,20,24-26,28H,8-9H2/t15-,16-,20-/m1/s1
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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 N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449144
PNG
(CHEMBL3127454)
Show SMILES OC[C@H]1O[C@@H](Cn2c3-c4ccccc4C(=O)c3c3ccc(cc3c2=O)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C23H20N2O9/c26-9-16-21(29)22(30)20(28)15(34-16)8-24-18-12-3-1-2-4-13(12)19(27)17(18)11-6-5-10(25(32)33)7-14(11)23(24)31/h1-7,15-16,20-22,26,28-30H,8-9H2/t15-,16+,20-,21+,22+/m0/s1
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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 N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449145
PNG
(CHEMBL3127453)
Show SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)Cn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C22H20N2O9/c25-9-16(27)21(30)20(29)15(26)8-23-18-12-3-1-2-4-13(12)19(28)17(18)11-6-5-10(24(32)33)7-14(11)22(23)31/h1-7,15-16,20-21,25-27,29-30H,8-9H2/t15-,16-,20-,21-/m1/s1
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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 N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449156
PNG
(CHEMBL3127442)
Show SMILES COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)c(=O)c2cc1OC
Show InChI InChI=1S/C25H25NO11/c1-34-16-3-10-13(6-17(16)35-2)25(33)26(7-14(28)23(31)24(32)15(29)8-27)21-11-4-18-19(37-9-36-18)5-12(11)22(30)20(10)21/h3-6,14-15,23-24,27-29,31-32H,7-9H2,1-2H3/t14-,15+,23+,24-/m0/s1
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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 N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449150
PNG
(CHEMBL3127448)
Show SMILES OC[C@@H](O)[C@@H](O)[C@H](O)Cn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C21H18N2O8/c24-9-16(26)20(28)15(25)8-22-18-12-3-1-2-4-13(12)19(27)17(18)11-6-5-10(23(30)31)7-14(11)21(22)29/h1-7,15-16,20,24-26,28H,8-9H2/t15-,16-,20+/m1/s1
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449153
PNG
(CHEMBL3127445)
Show SMILES COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(C[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)c2cc1OC
Show InChI InChI=1S/C26H25NO11/c1-34-14-3-10-13(6-15(14)35-2)26(33)27(7-18-23(30)25(32)24(31)19(8-28)38-18)21-11-4-16-17(37-9-36-16)5-12(11)22(29)20(10)21/h3-6,18-19,23-25,28,30-32H,7-9H2,1-2H3/t18-,19+,23-,24+,25+/m0/s1
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449147
PNG
(CHEMBL3127451)
Show SMILES OC[C@@H](O)[C@H](O)[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C21H18N2O8/c24-9-16(26)20(28)15(25)8-22-18-12-3-1-2-4-13(12)19(27)17(18)11-6-5-10(23(30)31)7-14(11)21(22)29/h1-7,15-16,20,24-26,28H,8-9H2/t15-,16+,20+/m0/s1
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449159
PNG
(CHEMBL3127439)
Show SMILES COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(C[C@H](O)[C@H](O)[C@H](O)CO)c(=O)c2cc1OC
Show InChI InChI=1S/C24H23NO10/c1-32-16-3-10-13(6-17(16)33-2)24(31)25(7-14(27)23(30)15(28)8-26)21-11-4-18-19(35-9-34-18)5-12(11)22(29)20(10)21/h3-6,14-15,23,26-28,30H,7-9H2,1-2H3/t14-,15+,23-/m0/s1
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449160
PNG
(CHEMBL3127438)
Show SMILES COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(C[C@@H](O)[C@H](O)[C@H](O)CO)c(=O)c2cc1OC
Show InChI InChI=1S/C24H23NO10/c1-32-16-3-10-13(6-17(16)33-2)24(31)25(7-14(27)23(30)15(28)8-26)21-11-4-18-19(35-9-34-18)5-12(11)22(29)20(10)21/h3-6,14-15,23,26-28,30H,7-9H2,1-2H3/t14-,15-,23+/m1/s1
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449163
PNG
(CHEMBL3127435)
Show SMILES COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(CC(O)CO)c(=O)c2cc1OC
Show InChI InChI=1S/C22H19NO8/c1-28-15-3-11-14(6-16(15)29-2)22(27)23(7-10(25)8-24)20-12-4-17-18(31-9-30-17)5-13(12)21(26)19(11)20/h3-6,10,24-25H,7-9H2,1-2H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449149
PNG
(CHEMBL3127449)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C21H18N2O8/c24-9-16(26)20(28)15(25)8-22-18-12-3-1-2-4-13(12)19(27)17(18)11-6-5-10(23(30)31)7-14(11)21(22)29/h1-7,15-16,20,24-26,28H,8-9H2/t15-,16+,20-/m0/s1
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449161
PNG
(CHEMBL3127437)
Show SMILES COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(C[C@@H](O)CO)c(=O)c2cc1OC
Show InChI InChI=1S/C22H19NO8/c1-28-15-3-11-14(6-16(15)29-2)22(27)23(7-10(25)8-24)20-12-4-17-18(31-9-30-17)5-13(12)21(26)19(11)20/h3-6,10,24-25H,7-9H2,1-2H3/t10-/m1/s1
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449157
PNG
(CHEMBL3127441)
Show SMILES COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(C[C@H](O)[C@@H](O)[C@H](O)CO)c(=O)c2cc1OC
Show InChI InChI=1S/C24H23NO10/c1-32-16-3-10-13(6-17(16)33-2)24(31)25(7-14(27)23(30)15(28)8-26)21-11-4-18-19(35-9-34-18)5-12(11)22(29)20(10)21/h3-6,14-15,23,26-28,30H,7-9H2,1-2H3/t14-,15+,23+/m0/s1
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449155
PNG
(CHEMBL3127443)
Show SMILES COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c(=O)c2cc1OC
Show InChI InChI=1S/C25H25NO11/c1-34-16-3-10-13(6-17(16)35-2)25(33)26(7-14(28)23(31)24(32)15(29)8-27)21-11-4-18-19(37-9-36-18)5-12(11)22(30)20(10)21/h3-6,14-15,23-24,27-29,31-32H,7-9H2,1-2H3/t14-,15+,23+,24+/m0/s1
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449162
PNG
(CHEMBL3127436)
Show SMILES COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(C[C@H](O)CO)c(=O)c2cc1OC
Show InChI InChI=1S/C22H19NO8/c1-28-15-3-11-14(6-16(15)29-2)22(27)23(7-10(25)8-24)20-12-4-17-18(31-9-30-17)5-13(12)21(26)19(11)20/h3-6,10,24-25H,7-9H2,1-2H3/t10-/m0/s1
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449154
PNG
(CHEMBL3127444)
Show SMILES COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c(=O)c2cc1OC
Show InChI InChI=1S/C25H25NO11/c1-34-16-3-10-13(6-17(16)35-2)25(33)26(7-14(28)23(31)24(32)15(29)8-27)21-11-4-18-19(37-9-36-18)5-12(11)22(30)20(10)21/h3-6,14-15,23-24,27-29,31-32H,7-9H2,1-2H3/t14-,15-,23-,24-/m1/s1
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449152
PNG
(CHEMBL3127446)
Show SMILES OCC(O)Cn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C19H14N2O6/c22-9-11(23)8-20-17-13-3-1-2-4-14(13)18(24)16(17)12-6-5-10(21(26)27)7-15(12)19(20)25/h1-7,11,22-23H,8-9H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449158
PNG
(CHEMBL3127440)
Show SMILES COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(C[C@@H](O)[C@@H](O)[C@H](O)CO)c(=O)c2cc1OC
Show InChI InChI=1S/C24H23NO10/c1-32-16-3-10-13(6-17(16)33-2)24(31)25(7-14(27)23(30)15(28)8-26)21-11-4-18-19(35-9-34-18)5-12(11)22(29)20(10)21/h3-6,14-15,23,26-28,30H,7-9H2,1-2H3/t14-,15-,23-/m1/s1
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449146
PNG
(CHEMBL3127452)
Show SMILES OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C22H20N2O9/c25-9-16(27)21(30)20(29)15(26)8-23-18-12-3-1-2-4-13(12)19(28)17(18)11-6-5-10(24(32)33)7-14(11)22(23)31/h1-7,15-16,20-21,25-27,29-30H,8-9H2/t15-,16+,20+,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50449151
PNG
(CHEMBL3127447)
Show SMILES OC[C@H](O)Cn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C19H14N2O6/c22-9-11(23)8-20-17-13-3-1-2-4-14(13)18(24)16(17)12-6-5-10(21(26)27)7-15(12)19(20)25/h1-7,11,22-23H,8-9H2/t11-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 N14Y as substrate after 15 mins by PAGE analysis


J Med Chem 57: 1495-512 (2014)


Article DOI: 10.1021/jm401814y
BindingDB Entry DOI: 10.7270/Q2FX7BXV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%