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Compile Data Set for Download or QSAR

Found 235 hits with Last Name = 'ravji' and Initial = 'a'   
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 2


(Homo sapiens (Human))
BDBM50521692
PNG
(CHEMBL4441013)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)cc1)c2=O)C#N
Show InChI InChI=1S/C25H16ClN5O4S/c1-36(34,35)29-18-3-2-4-20(13-18)30-22-11-15(14-27)5-6-16(22)12-21-23(30)28-25(33)31(24(21)32)19-9-7-17(26)8-10-19/h2-13,29H,1H3
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n/an/a 6.10n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521699
PNG
(CHEMBL4572376)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)cc1)c2=O)C#N
Show InChI InChI=1S/C25H16ClN5O4S/c1-36(34,35)29-18-6-10-19(11-7-18)30-22-12-15(14-27)2-3-16(22)13-21-23(30)28-25(33)31(24(21)32)20-8-4-17(26)5-9-20/h2-13,29H,1H3
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n/an/a 6.5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521689
PNG
(CHEMBL4436202)
Show SMILES Oc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)cc1)c2=O)C#N
Show InChI InChI=1S/C24H13ClN4O3/c25-16-6-8-17(9-7-16)29-23(31)20-11-15-5-4-14(13-26)10-21(15)28(22(20)27-24(29)32)18-2-1-3-19(30)12-18/h1-12,30H
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n/an/a 7.30n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521691
PNG
(CHEMBL4587441)
Show SMILES Oc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)c(Cl)c1)c2=O)C#N
Show InChI InChI=1S/C24H12Cl2N4O3/c25-19-7-6-16(11-20(19)26)30-23(32)18-9-14-5-4-13(12-27)8-21(14)29(22(18)28-24(30)33)15-2-1-3-17(31)10-15/h1-11,31H
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n/an/a 14n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521690
PNG
(CHEMBL4520052)
Show SMILES Oc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1cccc(Cl)c1)c2=O)C#N
Show InChI InChI=1S/C24H13ClN4O3/c25-16-3-1-4-17(11-16)29-23(31)20-10-15-8-7-14(13-26)9-21(15)28(22(20)27-24(29)32)18-5-2-6-19(30)12-18/h1-12,30H
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n/an/a 20n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521697
PNG
(CHEMBL4468174)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Cl)cc1)c2=O)C#N
Show InChI InChI=1S/C24H13ClN4O3/c25-16-3-5-18(6-4-16)29-23(31)20-12-15-2-1-14(13-26)11-21(15)28(22(20)27-24(29)32)17-7-9-19(30)10-8-17/h1-12,30H
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n/an/a 33n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521687
PNG
(CHEMBL4560735)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccccc1)c2=O)C#N
Show InChI InChI=1S/C24H14N4O3/c25-14-15-6-7-16-13-20-22(27(21(16)12-15)18-8-10-19(29)11-9-18)26-24(31)28(23(20)30)17-4-2-1-3-5-17/h1-13,29H
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n/an/a 33n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521698
PNG
(CHEMBL4555612)
Show SMILES NC(=O)c1cccc(c1)-n1c(=O)nc2n(-c3ccc(O)cc3)c3cc(ccc3cc2c1=O)C#N
Show InChI InChI=1S/C25H15N5O4/c26-13-14-4-5-15-12-20-23(29(21(15)10-14)17-6-8-19(31)9-7-17)28-25(34)30(24(20)33)18-3-1-2-16(11-18)22(27)32/h1-12,31H,(H2,27,32)
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n/an/a 35n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521678
PNG
(CHEMBL4521151)
Show SMILES COC(=O)c1cccc(c1)-n1c(=O)nc2n(-c3ccc(O)cc3)c3cc(ccc3cc2c1=O)C#N
Show InChI InChI=1S/C26H16N4O5/c1-35-25(33)17-3-2-4-19(12-17)30-24(32)21-13-16-6-5-15(14-27)11-22(16)29(23(21)28-26(30)34)18-7-9-20(31)10-8-18/h2-13,31H,1H3
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n/an/a 38n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438848
PNG
(CHEMBL2420480)
Show SMILES O=c1nc2n(-c3cccc(c3)-c3nnn[nH]3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-10-4-5-11-8-14-17(21-19(29)22-18(14)28)27(15(11)6-10)13-3-1-2-12(7-13)16-23-25-26-24-16/h1-8H,(H,22,28,29)(H,23,24,25,26)
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n/an/a 41n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438864
PNG
(CHEMBL2420507)
Show SMILES Oc1cccc(c1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H10N4O3/c19-9-10-4-5-11-7-14-16(20-18(25)21-17(14)24)22(15(11)6-10)12-2-1-3-13(23)8-12/h1-8,23H,(H,21,24,25)
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n/an/a 42n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521701
PNG
(CHEMBL4457155)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(Br)cc1)c2=O)C#N
Show InChI InChI=1S/C24H13BrN4O3/c25-16-3-5-18(6-4-16)29-23(31)20-12-15-2-1-14(13-26)11-21(15)28(22(20)27-24(29)32)17-7-9-19(30)10-8-17/h1-12,30H
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n/an/a 65n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521688
PNG
(CHEMBL4546104)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)n(-c1ccc(F)cc1)c2=O)C#N
Show InChI InChI=1S/C24H13FN4O3/c25-16-3-5-18(6-4-16)29-23(31)20-12-15-2-1-14(13-26)11-21(15)28(22(20)27-24(29)32)17-7-9-19(30)10-8-17/h1-12,30H
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n/an/a 70n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521702
PNG
(CHEMBL4518508)
Show SMILES OC(=O)c1cccc(COc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)c1
Show InChI InChI=1S/C26H16N4O5/c27-13-15-4-5-17-12-21-23(28-26(34)29-24(21)31)30(22(17)11-15)19-6-8-20(9-7-19)35-14-16-2-1-3-18(10-16)25(32)33/h1-12H,14H2,(H,32,33)(H,29,31,34)
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n/an/a 130n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438863
PNG
(10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H10N4O3/c19-9-10-1-2-11-8-14-16(20-18(25)21-17(14)24)22(15(11)7-10)12-3-5-13(23)6-4-12/h1-8,23H,(H,21,24,25)
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n/an/a 140n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521683
PNG
(CHEMBL4576353)
Show SMILES COC(=O)c1cccc(COc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)c1
Show InChI InChI=1S/C27H18N4O5/c1-35-26(33)19-4-2-3-17(11-19)15-36-21-9-7-20(8-10-21)31-23-12-16(14-28)5-6-18(23)13-22-24(31)29-27(34)30-25(22)32/h2-13H,15H2,1H3,(H,30,32,34)
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n/an/a 150n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521686
PNG
(CHEMBL4557001)
Show SMILES OC(=O)c1cccc(Oc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)c1
Show InChI InChI=1S/C25H14N4O5/c26-13-14-4-5-15-12-20-22(27-25(33)28-23(20)30)29(21(15)10-14)17-6-8-18(9-7-17)34-19-3-1-2-16(11-19)24(31)32/h1-12H,(H,31,32)(H,28,30,33)
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n/an/a 190n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521681
PNG
(CHEMBL4464179)
Show SMILES O=c1nc2n(-c3ccc(OCc4ccccc4)cc3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C25H16N4O3/c26-14-17-6-7-18-13-21-23(27-25(31)28-24(21)30)29(22(18)12-17)19-8-10-20(11-9-19)32-15-16-4-2-1-3-5-16/h1-13H,15H2,(H,28,30,31)
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n/an/a 200n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521693
PNG
(CHEMBL4471861)
Show SMILES Clc1ccc(cc1)-n1c(=O)nc2n(-c3ccccc3)c3cc(ccc3cc2c1=O)C#N
Show InChI InChI=1S/C24H13ClN4O2/c25-17-8-10-19(11-9-17)29-23(30)20-13-16-7-6-15(14-26)12-21(16)28(22(20)27-24(29)31)18-4-2-1-3-5-18/h1-13H
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n/an/a 270n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521703
PNG
(CHEMBL4536546)
Show SMILES O=c1nc2n(-c3cccc(Oc4ccccc4)c3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C24H14N4O3/c25-14-15-9-10-16-12-20-22(26-24(30)27-23(20)29)28(21(16)11-15)17-5-4-8-19(13-17)31-18-6-2-1-3-7-18/h1-13H,(H,27,29,30)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521680
PNG
(CHEMBL4444838)
Show SMILES Cn1c(=O)nc2n(-c3ccc(O)cc3)c3cc(ccc3cc2c1=O)C#N
Show InChI InChI=1S/C19H12N4O3/c1-22-18(25)15-9-12-3-2-11(10-20)8-16(12)23(17(15)21-19(22)26)13-4-6-14(24)7-5-13/h2-9,24H,1H3
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521677
PNG
(CHEMBL4590491)
Show SMILES O=c1nc2n(-c3cccc(OCc4ccccc4)c3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C25H16N4O3/c26-14-17-9-10-18-12-21-23(27-25(31)28-24(21)30)29(22(18)11-17)19-7-4-8-20(13-19)32-15-16-5-2-1-3-6-16/h1-13H,15H2,(H,28,30,31)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50438865
PNG
(2,4-Dioxo-10-phenyl-pyrimido[4,5-b]quinoline-8-car...)
Show SMILES O=c1nc2n(-c3ccccc3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C18H10N4O2/c19-10-11-6-7-12-9-14-16(20-18(24)21-17(14)23)22(15(12)8-11)13-4-2-1-3-5-13/h1-9H,(H,21,23,24)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521679
PNG
(CHEMBL4470162)
Show SMILES FC(F)Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C19H10F2N4O3/c20-18(21)28-13-5-3-12(4-6-13)25-15-7-10(9-22)1-2-11(15)8-14-16(25)23-19(27)24-17(14)26/h1-8,18H,(H,24,26,27)
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n/an/a 880n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521696
PNG
(CHEMBL4585923)
Show SMILES COC(=O)c1cccc(Oc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)c1
Show InChI InChI=1S/C26H16N4O5/c1-34-25(32)17-3-2-4-20(12-17)35-19-9-7-18(8-10-19)30-22-11-15(14-27)5-6-16(22)13-21-23(30)28-26(33)29-24(21)31/h2-13H,1H3,(H,29,31,33)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521694
PNG
(CHEMBL4470609)
Show SMILES O=c1nc2n(-c3ccc4OCOc4c3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N4O4/c20-8-10-1-2-11-6-13-17(21-19(25)22-18(13)24)23(14(11)5-10)12-3-4-15-16(7-12)27-9-26-15/h1-7H,9H2,(H,22,24,25)
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n/an/a 960n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521695
PNG
(CHEMBL4473892)
Show SMILES Clc1cccc(COc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)c1
Show InChI InChI=1S/C25H15ClN4O3/c26-18-3-1-2-16(10-18)14-33-20-8-6-19(7-9-20)30-22-11-15(13-27)4-5-17(22)12-21-23(30)28-25(32)29-24(21)31/h1-12H,14H2,(H,29,31,32)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50237810
PNG
(CHEMBL4061238)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCC(N)CC2)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C24H25N5O5/c1-34-16-12-19-21(26-13-16)22-20(23(19)30)17-4-3-15(29(32)33)11-18(17)24(31)28(22)8-2-7-27-9-5-14(25)6-10-27/h3-4,11-14H,2,5-10,25H2,1H3
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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 human Tdp2 assessed as decrease in alpha 32P-cordycepin-3'-labeled DNA breaks after 15 mins by PAGE analysis


J Med Chem 60: 3275-3288 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01565
BindingDB Entry DOI: 10.7270/Q24Q7X72
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50237812
PNG
(CHEMBL4099532)
Show SMILES CCNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C21H20N4O5/c1-3-22-7-4-8-24-19-17(20(26)16-10-13(30-2)11-23-18(16)19)14-6-5-12(25(28)29)9-15(14)21(24)27/h5-6,9-11,22H,3-4,7-8H2,1-2H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) assessed as decrease in hydrolysis of phosphodiester linkage between tyrosine residue and the 3' end ...


J Med Chem 60: 3275-3288 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01565
BindingDB Entry DOI: 10.7270/Q24Q7X72
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50237810
PNG
(CHEMBL4061238)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCC(N)CC2)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C24H25N5O5/c1-34-16-12-19-21(26-13-16)22-20(23(19)30)17-4-3-15(29(32)33)11-18(17)24(31)28(22)8-2-7-27-9-5-14(25)6-10-27/h3-4,11-14H,2,5-10,25H2,1H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) assessed as decrease in hydrolysis of phosphodiester linkage between tyrosine residue and the 3' end ...


J Med Chem 60: 3275-3288 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01565
BindingDB Entry DOI: 10.7270/Q24Q7X72
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50237809
PNG
(CHEMBL126159)
Show SMILES COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(CCCNCCO)c(=O)c2cc1OC
Show InChI InChI=1S/C24H24N2O7/c1-30-17-8-13-16(11-18(17)31-2)24(29)26(6-3-4-25-5-7-27)22-14-9-19-20(33-12-32-19)10-15(14)23(28)21(13)22/h8-11,25,27H,3-7,12H2,1-2H3
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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 human Tdp2 assessed as decrease in alpha 32P-cordycepin-3'-labeled DNA breaks after 15 mins by PAGE analysis


J Med Chem 60: 3275-3288 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01565
BindingDB Entry DOI: 10.7270/Q24Q7X72
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50237804
PNG
(CHEMBL4097105)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC2=NCCS2)c(=O)c2cc(ccc12)[N+]([O-])=O |t:19|
Show InChI InChI=1S/C22H19N5O5S/c1-32-13-10-16-18(25-11-13)19-17(20(16)28)14-4-3-12(27(30)31)9-15(14)21(29)26(19)7-2-5-23-22-24-6-8-33-22/h3-4,9-11H,2,5-8H2,1H3,(H,23,24)
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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 Cyclin-dependent kinase 2 cyclin A


J Med Chem 60: 3275-3288 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01565
BindingDB Entry DOI: 10.7270/Q24Q7X72
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50237801
PNG
(CHEMBL4081000)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCN2CCCC2)c(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C23H22N4O5/c1-32-15-12-18-20(24-13-15)21-19(22(18)28)16-6-5-14(27(30)31)11-17(16)23(29)26(21)10-4-9-25-7-2-3-8-25/h5-6,11-13H,2-4,7-10H2,1H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 2 cyclin A


J Med Chem 60: 3275-3288 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01565
BindingDB Entry DOI: 10.7270/Q24Q7X72
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50237803
PNG
(CHEMBL4069903)
Show SMILES CNCCCn1c2-c3ncc(OC)cc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C20H18N4O5/c1-21-6-3-7-23-18-16(19(25)15-9-12(29-2)10-22-17(15)18)13-5-4-11(24(27)28)8-14(13)20(23)26/h4-5,8-10,21H,3,6-7H2,1-2H3
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 2 cyclin A


J Med Chem 60: 3275-3288 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01565
BindingDB Entry DOI: 10.7270/Q24Q7X72
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521700
PNG
(CHEMBL4449643)
Show SMILES FC(F)(F)Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C19H9F3N4O3/c20-19(21,22)29-13-5-3-12(4-6-13)26-15-7-10(9-23)1-2-11(15)8-14-16(26)24-18(28)25-17(14)27/h1-8H,(H,25,27,28)
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National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521704
PNG
(CHEMBL4585941)
Show SMILES O=c1nc2n(-c3ccc(Oc4ccccc4)cc3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C24H14N4O3/c25-14-15-6-7-16-13-20-22(26-24(30)27-23(20)29)28(21(16)12-15)17-8-10-19(11-9-17)31-18-4-2-1-3-5-18/h1-13H,(H,27,29,30)
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521682
PNG
(CHEMBL4473717)
Show SMILES Brc1ccc(COc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)cc1
Show InChI InChI=1S/C25H15BrN4O3/c26-18-5-2-15(3-6-18)14-33-20-9-7-19(8-10-20)30-22-11-16(13-27)1-4-17(22)12-21-23(30)28-25(32)29-24(21)31/h1-12H,14H2,(H,29,31,32)
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521705
PNG
(CHEMBL4581905)
Show SMILES FC1(F)Oc2ccc(cc2O1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C19H8F2N4O4/c20-19(21)28-14-4-3-11(7-15(14)29-19)25-13-5-9(8-22)1-2-10(13)6-12-16(25)23-18(27)24-17(12)26/h1-7H,(H,24,26,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521676
PNG
(CHEMBL4525013)
Show SMILES Clc1ccc(COc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)cc1
Show InChI InChI=1S/C25H15ClN4O3/c26-18-5-2-15(3-6-18)14-33-20-9-7-19(8-10-20)30-22-11-16(13-27)1-4-17(22)12-21-23(30)28-25(32)29-24(21)31/h1-12H,14H2,(H,29,31,32)
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n/an/a 1.60E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50375597
PNG
(CHEMBL4169615)
Show SMILES CCOC(=O)c1noc2c1C(=O)c1cccnc1C2=O
Show InChI InChI=1S/C13H8N2O5/c1-2-19-13(18)9-7-10(16)6-4-3-5-14-8(6)11(17)12(7)20-15-9/h3-5H,2H2,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using TY18 (alpha-[32P]-cordycepin-3'-labeled) as substrate after 15 mins by PAGE analysis


Eur J Med Chem 151: 777-796 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.024
BindingDB Entry DOI: 10.7270/Q20R9RZ8
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50375597
PNG
(CHEMBL4169615)
Show SMILES CCOC(=O)c1noc2c1C(=O)c1cccnc1C2=O
Show InChI InChI=1S/C13H8N2O5/c1-2-19-13(18)9-7-10(16)6-4-3-5-14-8(6)11(17)12(7)20-15-9/h3-5H,2H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human TDP2 expressed in TDP2 deficient chicken DT40 whole cell extracts using TY19 DNA as substrate after 15 mins by by PAGE analysis


Eur J Med Chem 151: 777-796 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.024
BindingDB Entry DOI: 10.7270/Q20R9RZ8
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50378160
PNG
(CHEMBL4161684)
Show SMILES CCOC(=O)c1noc2c1C(=O)c1ncccc1C2=O
Show InChI InChI=1S/C13H8N2O5/c1-2-19-13(18)9-7-11(17)8-6(4-3-5-14-8)10(16)12(7)20-15-9/h3-5H,2H2,1H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human TDP2 expressed in TDP2 deficient chicken DT40 whole cell extracts using TY19 DNA as substrate after 15 mins by by PAGE analysis


Eur J Med Chem 151: 777-796 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.024
BindingDB Entry DOI: 10.7270/Q20R9RZ8
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50378160
PNG
(CHEMBL4161684)
Show SMILES CCOC(=O)c1noc2c1C(=O)c1ncccc1C2=O
Show InChI InChI=1S/C13H8N2O5/c1-2-19-13(18)9-7-11(17)8-6(4-3-5-14-8)10(16)12(7)20-15-9/h3-5H,2H2,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using TY18 (alpha-[32P]-cordycepin-3'-labeled) as substrate after 15 mins by PAGE analysis


Eur J Med Chem 151: 777-796 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.024
BindingDB Entry DOI: 10.7270/Q20R9RZ8
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50521685
PNG
(CHEMBL4469686)
Show SMILES Fc1ccc(Oc2ccc(cc2)-n2c3cc(ccc3cc3c2nc(=O)[nH]c3=O)C#N)cc1
Show InChI InChI=1S/C24H13FN4O3/c25-16-3-7-18(8-4-16)32-19-9-5-17(6-10-19)29-21-11-14(13-26)1-2-15(21)12-20-22(29)27-24(31)28-23(20)30/h1-12H,(H,28,30,31)
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n/an/a 3.80E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 6...


J Med Chem 62: 4669-4682 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00274
BindingDB Entry DOI: 10.7270/Q2F1934F
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50378166
PNG
(CHEMBL4166190)
Show SMILES Cc1oc2c(c1C(=O)Oc1ccccc1O)C(=O)c1ncccc1C2=O
Show InChI InChI=1S/C19H11NO6/c1-9-13(19(24)26-12-7-3-2-6-11(12)21)14-17(23)15-10(5-4-8-20-15)16(22)18(14)25-9/h2-8,21H,1H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human TDP2 expressed in TDP2 deficient chicken DT40 whole cell extracts using TY19 DNA as substrate after 15 mins by by PAGE analysis


Eur J Med Chem 151: 777-796 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.024
BindingDB Entry DOI: 10.7270/Q20R9RZ8
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50450516
PNG
(CHEMBL4163805)
Show SMILES COc1cc2c(OCCN3CCCC3)nc3c4cc5OCOc5cc4ccc3c2cc1OC
Show InChI InChI=1S/C26H26N2O5/c1-29-21-13-19-17-6-5-16-11-23-24(33-15-32-23)12-18(16)25(17)27-26(20(19)14-22(21)30-2)31-10-9-28-7-3-4-8-28/h5-6,11-14H,3-4,7-10,15H2,1-2H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP1 using 5'FAM-AGGATCTAAAAGACTT-BHQ-3' as substrate preincubated for 30 mins followed by substrate addition by fluo...


J Med Chem 61: 9908-9930 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00639
BindingDB Entry DOI: 10.7270/Q27S7RCD
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50376549
PNG
(CHEMBL4166131)
Show SMILES Cc1oc2c(c1C(=O)Oc1ccc(Cl)cc1)C(=O)c1ncccc1C2=O
Show InChI InChI=1S/C19H10ClNO5/c1-9-13(19(24)26-11-6-4-10(20)5-7-11)14-17(23)15-12(3-2-8-21-15)16(22)18(14)25-9/h2-8H,1H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human TDP2 expressed in TDP2 deficient chicken DT40 whole cell extracts using TY19 DNA as substrate after 15 mins by by PAGE analysis


Eur J Med Chem 151: 777-796 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.024
BindingDB Entry DOI: 10.7270/Q20R9RZ8
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50378166
PNG
(CHEMBL4166190)
Show SMILES Cc1oc2c(c1C(=O)Oc1ccccc1O)C(=O)c1ncccc1C2=O
Show InChI InChI=1S/C19H11NO6/c1-9-13(19(24)26-12-7-3-2-6-11(12)21)14-17(23)15-10(5-4-8-20-15)16(22)18(14)25-9/h2-8,21H,1H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using TY18 (alpha-[32P]-cordycepin-3'-labeled) as substrate after 15 mins by PAGE analysis


Eur J Med Chem 151: 777-796 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.024
BindingDB Entry DOI: 10.7270/Q20R9RZ8
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50378145
PNG
(CHEMBL4176761)
Show SMILES Cc1oc2c(c1C(=O)Oc1cccnc1)C(=O)c1ncccc1C2=O
Show InChI InChI=1S/C18H10N2O5/c1-9-12(18(23)25-10-4-2-6-19-8-10)13-16(22)14-11(5-3-7-20-14)15(21)17(13)24-9/h2-8H,1H3
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n/an/a 7.70E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human TDP2 expressed in TDP2 deficient chicken DT40 whole cell extracts using TY19 DNA as substrate after 15 mins by by PAGE analysis


Eur J Med Chem 151: 777-796 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.024
BindingDB Entry DOI: 10.7270/Q20R9RZ8
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50372749
PNG
(CHEMBL4164245)
Show SMILES Cc1oc2c(c1C(=O)Oc1cccc(c1)-c1cn(CCCO)nn1)C(=O)c1ncccc1C2=O
Show InChI InChI=1S/C24H18N4O6/c1-13-18(19-22(31)20-16(7-3-8-25-20)21(30)23(19)33-13)24(32)34-15-6-2-5-14(11-15)17-12-28(27-26-17)9-4-10-29/h2-3,5-8,11-12,29H,4,9-10H2,1H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDP2 using TY18 (alpha-[32P]-cordycepin-3'-labeled) as substrate after 15 mins by PAGE analysis


Eur J Med Chem 151: 777-796 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.024
BindingDB Entry DOI: 10.7270/Q20R9RZ8
More data for this
Ligand-Target Pair
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