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PubMed code 25811317

Compile data set for download or QSAR
Found 26 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))
BDBM50425088
PNG
(CHEMBL375623 | US9402842, 54)
Show SMILES COc1ccc-2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C20H17N3O5/c1-28-12-4-6-14-15(10-12)19(24)17-13-5-3-11(23(26)27)9-16(13)20(25)22(18(14)17)8-2-7-21/h3-6,9-10H,2,7-8,21H2,1H3
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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 human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50388544
PNG
(CHEMBL2057323)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCNCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C41H36N4O4/c46-38-30-16-5-3-14-28(30)36-34(38)26-12-1-7-18-32(26)40(48)44(36)24-10-22-42-20-9-21-43-23-11-25-45-37-29-15-4-6-17-31(29)39(47)35(37)27-13-2-8-19-33(27)41(45)49/h1-8,12-19,42-43H,9-11,20-25H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50425087
PNG
(CHEMBL218884 | US9402842, 55)
Show SMILES COc1cccc2C(=O)c3c(-c12)n(CCCN)c(=O)c1cc(ccc31)[N+]([O-])=O
Show InChI InChI=1S/C20H17N3O5/c1-28-15-5-2-4-13-16(15)18-17(19(13)24)12-7-6-11(23(26)27)10-14(12)20(25)22(18)9-3-8-21/h2,4-7,10H,3,8-9,21H2,1H3
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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 human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082039
PNG
(CHEMBL3422398)
Show SMILES NCCCn1c2-c3cc(O)ccc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C19H15N3O5/c20-6-1-7-21-17-14-9-11(23)3-5-13(14)18(24)16(17)12-4-2-10(22(26)27)8-15(12)19(21)25/h2-5,8-9,23H,1,6-7,20H2
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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 human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082036
PNG
(CHEMBL3422395)
Show SMILES NCCCn1c2-c3c(cccc3O)C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C19H15N3O5/c20-7-2-8-21-17-15-12(3-1-4-14(15)23)18(24)16(17)11-6-5-10(22(26)27)9-13(11)19(21)25/h1,3-6,9,23H,2,7-8,20H2
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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 human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082033
PNG
(CHEMBL3422392)
Show SMILES COc1cc2C(=O)c3c(-c2cc1O)n(CCCN)c(=O)c1cc(ccc31)[N+]([O-])=O
Show InChI InChI=1S/C20H17N3O6/c1-29-16-9-13-12(8-15(16)24)18-17(19(13)25)11-4-3-10(23(27)28)7-14(11)20(26)22(18)6-2-5-21/h3-4,7-9,24H,2,5-6,21H2,1H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082030
PNG
(CHEMBL3422389)
Show SMILES COc1cc-2c(cc1O)C(=O)c1c-2n(CCCN)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C20H17N3O6/c1-29-16-9-12-13(8-15(16)24)19(25)17-11-4-3-10(23(27)28)7-14(11)20(26)22(18(12)17)6-2-5-21/h3-4,7-9,24H,2,5-6,21H2,1H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082032
PNG
(CHEMBL3422391)
Show SMILES COc1cc2C(=O)c3c(-c2cc1O)n(CCCn1ccnc1)c(=O)c1cc(ccc31)[N+]([O-])=O
Show InChI InChI=1S/C23H18N4O6/c1-33-19-11-16-15(10-18(19)28)21-20(22(16)29)14-4-3-13(27(31)32)9-17(14)23(30)26(21)7-2-6-25-8-5-24-12-25/h3-5,8-12,28H,2,6-7H2,1H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082050
PNG
(CHEMBL3422405)
Show SMILES Br.NCCCn1c2-c3cccc(O)c3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C19H15N3O5.BrH/c20-7-2-8-21-17-12-3-1-4-14(23)15(12)18(24)16(17)11-6-5-10(22(26)27)9-13(11)19(21)25;/h1,3-6,9,23H,2,7-8,20H2;1H
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082043
PNG
(CHEMBL3422399)
Show SMILES Oc1ccc-2c(c1)C(=O)c1c-2n(CCCBr)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C19H13BrN2O5/c20-6-1-7-21-17-13-5-3-11(23)9-14(13)18(24)16(17)12-4-2-10(22(26)27)8-15(12)19(21)25/h2-5,8-9,23H,1,6-7H2
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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 human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50081945
PNG
(CHEMBL2177789)
Show SMILES COc1cc2C(=O)c3c(-c2cc1O)n(CCCN1CCOCC1)c(=O)c1cc(OC)c(OC)cc31
Show InChI InChI=1S/C26H28N2O7/c1-32-20-13-17-16(11-19(20)29)24-23(25(17)30)15-12-21(33-2)22(34-3)14-18(15)26(31)28(24)6-4-5-27-7-9-35-10-8-27/h11-14,29H,4-10H2,1-3H3
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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 human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082046
PNG
(CHEMBL3422402)
Show SMILES Br.NCCCn1c2-c3ccc(O)cc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C19H15N3O5.BrH/c20-6-1-7-21-17-13-5-3-11(23)9-14(13)18(24)16(17)12-4-2-10(22(26)27)8-15(12)19(21)25;/h2-5,8-9,23H,1,6-7,20H2;1H
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082035
PNG
(CHEMBL3422394)
Show SMILES Oc1cccc2C(=O)c3c(-c12)n(CCCn1ccnc1)c(=O)c1cc(ccc31)[N+]([O-])=O
Show InChI InChI=1S/C22H16N4O5/c27-17-4-1-3-15-18(17)20-19(21(15)28)14-6-5-13(26(30)31)11-16(14)22(29)25(20)9-2-8-24-10-7-23-12-24/h1,3-7,10-12,27H,2,8-9H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082038
PNG
(CHEMBL3422397)
Show SMILES Oc1ccc2C(=O)c3c(-c2c1)n(CCCn1ccnc1)c(=O)c1cc(ccc31)[N+]([O-])=O
Show InChI InChI=1S/C22H16N4O5/c27-14-3-5-16-17(11-14)20-19(21(16)28)15-4-2-13(26(30)31)10-18(15)22(29)25(20)8-1-7-24-9-6-23-12-24/h2-6,9-12,27H,1,7-8H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50081948
PNG
(CHEMBL2177791)
Show SMILES COc1cc-2c(cc1O)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C26H28N2O7/c1-32-20-13-16-17(11-19(20)29)25(30)23-15-12-21(33-2)22(34-3)14-18(15)26(31)28(24(16)23)6-4-5-27-7-9-35-10-8-27/h11-14,29H,4-10H2,1-3H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082037
PNG
(CHEMBL3422396)
Show SMILES Oc1ccc2C(=O)c3c(-c2c1)n(CCCN1CCOCC1)c(=O)c1cc(ccc31)[N+]([O-])=O
Show InChI InChI=1S/C23H21N3O6/c27-15-3-5-17-18(13-15)21-20(22(17)28)16-4-2-14(26(30)31)12-19(16)23(29)25(21)7-1-6-24-8-10-32-11-9-24/h2-5,12-13,27H,1,6-11H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082044
PNG
(CHEMBL3422400)
Show SMILES Br.Oc1ccc-2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C23H21N3O6.BrH/c27-15-3-5-17-18(13-15)22(28)20-16-4-2-14(26(30)31)12-19(16)23(29)25(21(17)20)7-1-6-24-8-10-32-11-9-24;/h2-5,12-13,27H,1,6-11H2;1H
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50081949
PNG
(CHEMBL2177790)
Show SMILES COc1cc-2c(cc1O)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C25H23N3O6/c1-32-19-11-15-16(9-18(19)29)24(30)22-14-10-20(33-2)21(34-3)12-17(14)25(31)28(23(15)22)7-4-6-27-8-5-26-13-27/h5,8-13,29H,4,6-7H2,1-3H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082034
PNG
(CHEMBL3422393)
Show SMILES Oc1cccc2C(=O)c3c(-c12)n(CCCN1CCOCC1)c(=O)c1cc(ccc31)[N+]([O-])=O
Show InChI InChI=1S/C23H21N3O6/c27-18-4-1-3-16-19(18)21-20(22(16)28)15-6-5-14(26(30)31)13-17(15)23(29)25(21)8-2-7-24-9-11-32-12-10-24/h1,3-6,13,27H,2,7-12H2
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082045
PNG
(CHEMBL3422401)
Show SMILES Cl.Oc1ccc-2c(c1)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C22H16N4O5.ClH/c27-14-3-5-16-17(11-14)21(28)19-15-4-2-13(26(30)31)10-18(15)22(29)25(20(16)19)8-1-7-24-9-6-23-12-24;/h2-6,9-12,27H,1,7-8H2;1H
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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 human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50081947
PNG
(CHEMBL2177788)
Show SMILES COc1cc2C(=O)c3c(-c2cc1O)n(CCCn1ccnc1)c(=O)c1cc(OC)c(OC)cc31
Show InChI InChI=1S/C25H23N3O6/c1-32-19-11-16-15(9-18(19)29)23-22(24(16)30)14-10-20(33-2)21(34-3)12-17(14)25(31)28(23)7-4-6-27-8-5-26-13-27/h5,8-13,29H,4,6-7H2,1-3H3
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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 human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082029
PNG
(CHEMBL3422388)
Show SMILES COc1cc-2c(cc1O)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C23H18N4O6/c1-33-19-11-15-16(10-18(19)28)22(29)20-14-4-3-13(27(31)32)9-17(14)23(30)26(21(15)20)7-2-6-25-8-5-24-12-25/h3-5,8-12,28H,2,6-7H2,1H3
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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 human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082049
PNG
(CHEMBL3422404)
Show SMILES Br.Oc1cccc-2c1C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C22H16N4O5.BrH/c27-17-4-1-3-15-18(17)21(28)19-14-6-5-13(26(30)31)11-16(14)22(29)25(20(15)19)9-2-8-24-10-7-23-12-24;/h1,3-7,10-12,27H,2,8-9H2;1H
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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 human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082048
PNG
(CHEMBL3422403)
Show SMILES Oc1cccc-2c1C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C23H21N3O6/c27-18-4-1-3-16-19(18)22(28)20-15-6-5-14(26(30)31)13-17(15)23(29)25(21(16)20)8-2-7-24-9-11-32-12-10-24/h1,3-6,13,27H,2,7-12H2
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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 human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082028
PNG
(CHEMBL3422387)
Show SMILES COc1cc-2c(cc1O)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C24H23N3O7/c1-33-20-13-16-17(12-19(20)28)23(29)21-15-4-3-14(27(31)32)11-18(15)24(30)26(22(16)21)6-2-5-25-7-9-34-10-8-25/h3-4,11-13,28H,2,5-10H2,1H3
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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 human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50082031
PNG
(CHEMBL3422390)
Show SMILES COc1cc2C(=O)c3c(-c2cc1O)n(CCCN1CCOCC1)c(=O)c1cc(ccc31)[N+]([O-])=O
Show InChI InChI=1S/C24H23N3O7/c1-33-20-13-17-16(12-19(20)28)22-21(23(17)29)15-4-3-14(27(31)32)11-18(15)24(30)26(22)6-2-5-25-7-9-34-10-8-25/h3-4,11-13,28H,2,5-10H2,1H3
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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 human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis


J Med Chem 58: 3188-208 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00136
BindingDB Entry DOI: 10.7270/Q2P55Q78
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%