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Compile Data Set for Download or QSAR

Found 484 hits of affinity data for UniProtKB/TrEMBL: Q96BK7   
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))
BDBM50388546
PNG
(CHEMBL213072 | CHEMBL333363)
Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C19H16N2O2/c20-10-5-11-21-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(21)23/h1-4,6-9H,5,10-11,20H2
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3.19E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant Tdp1 after 1 hr by FRET assay


J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50008923
PNG
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
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n/an/a 0n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine as substrate after 15 mins...


J Med Chem 60: 5364-5376 (2017)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463376
PNG
(CHEMBL4244758)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C33H34O8/c1-14-25(36)24-29(41-21-13-19(35)22(15(2)34)30(39)33(21,24)9)23-27(38)20(40-28(14)23)11-16-10-17(31(3,4)5)12-18(26(16)37)32(6,7)8/h10-13,35-37H,1-9H3/b20-11-/t33-/m0/s1
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n/an/a 25n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463381
PNG
(CHEMBL4241424)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccc(Br)s1
Show InChI InChI=1S/C23H15BrO7S/c1-8-18(27)17-21(31-13-7-11(26)15(9(2)25)22(29)23(13,17)3)16-19(28)12(30-20(8)16)6-10-4-5-14(24)32-10/h4-7,26-27H,1-3H3/b12-6-/t23-/m0/s1
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n/an/a 63n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463368
PNG
(CHEMBL4250901)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@]2(C)C1=O)=C\c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C33H34O8/c1-14-25(36)24-29(41-21-13-19(35)22(15(2)34)30(39)33(21,24)9)23-27(38)20(40-28(14)23)11-16-10-17(31(3,4)5)12-18(26(16)37)32(6,7)8/h10-13,35-37H,1-9H3/b20-11-/t33-/m1/s1
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n/an/a 64n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463384
PNG
(CHEMBL4242066)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@]2(C)C1=O)=C\c1ccc(Br)s1
Show InChI InChI=1S/C23H15BrO7S/c1-8-18(27)17-21(31-13-7-11(26)15(9(2)25)22(29)23(13,17)3)16-19(28)12(30-20(8)16)6-10-4-5-14(24)32-10/h4-7,26-27H,1-3H3/b12-6-/t23-/m1/s1
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n/an/a 81n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463372
PNG
(CHEMBL3356739)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccc(Br)cc1
Show InChI InChI=1S/C25H17BrO7/c1-10-20(29)19-23(33-16-9-14(28)17(11(2)27)24(31)25(16,19)3)18-21(30)15(32-22(10)18)8-12-4-6-13(26)7-5-12/h4-9,28-29H,1-3H3/b15-8-/t25-/m0/s1
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n/an/a 150n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50232848
PNG
(CHEMBL4084310)
Show SMILES CC(=O)c1c2OC3=CC(=O)\C(=C(\C)NCCCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)C(=O)C3(C)c2c(O)c(C)c1O
Show InChI InChI=1S/C35H43NO7/c1-17-28(39)26(19(3)37)31-27(29(17)40)35(10)24(43-31)16-23(38)25(32(35)42)18(2)36-13-11-12-20-14-21(33(4,5)6)30(41)22(15-20)34(7,8)9/h14-16,36,39-41H,11-13H2,1-10H3/b25-18+
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n/an/a 160n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured at 1 min interval by fluorimet...


J Nat Prod 79: 2961-2967 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00979
BindingDB Entry DOI: 10.7270/Q20C4Z0H
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463379
PNG
(CHEMBL4243917)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccc(C)o1
Show InChI InChI=1S/C24H18O8/c1-9-5-6-12(30-9)7-14-20(28)17-21(31-14)10(2)19(27)18-22(17)32-15-8-13(26)16(11(3)25)23(29)24(15,18)4/h5-8,26-27H,1-4H3/b14-7-/t24-/m0/s1
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n/an/a 160n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50232847
PNG
(CHEMBL4090202)
Show SMILES CC(=O)c1c2OC3=CC(=O)\C(=C(\C)NCCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)C(=O)C3(C)c2c(O)c(C)c1O
Show InChI InChI=1S/C34H41NO7/c1-16-27(38)25(18(3)36)30-26(28(16)39)34(10)23(42-30)15-22(37)24(31(34)41)17(2)35-12-11-19-13-20(32(4,5)6)29(40)21(14-19)33(7,8)9/h13-15,35,38-40H,11-12H2,1-10H3/b24-17+
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n/an/a 190n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured at 1 min interval by fluorimet...


J Nat Prod 79: 2961-2967 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00979
BindingDB Entry DOI: 10.7270/Q20C4Z0H
More data for this
Ligand-Target Pair
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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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


(Homo sapiens (Human))
BDBM50463373
PNG
(CHEMBL4250945)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccccc1Br
Show InChI InChI=1S/C25H17BrO7/c1-10-20(29)19-23(33-16-9-14(28)17(11(2)27)24(31)25(16,19)3)18-21(30)15(32-22(10)18)8-12-6-4-5-7-13(12)26/h4-9,28-29H,1-3H3/b15-8-/t25-/m0/s1
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n/an/a 230n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463364
PNG
(CHEMBL4249351)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1cccc(Br)c1
Show InChI InChI=1S/C25H17BrO7/c1-10-20(29)19-23(33-16-9-14(28)17(11(2)27)24(31)25(16,19)3)18-21(30)15(32-22(10)18)8-12-5-4-6-13(26)7-12/h4-9,28-29H,1-3H3/b15-8-/t25-/m0/s1
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n/an/a 232n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50232843
PNG
(CHEMBL2207624)
Show SMILES CC(=O)c1c2OC3=CC(=O)\C(=C(\C)Nc4ccc(Br)cc4)C(=O)[C@]3(C)c2c(O)c(C)c1O
Show InChI InChI=1S/C24H20BrNO6/c1-10-20(29)18(12(3)27)22-19(21(10)30)24(4)16(32-22)9-15(28)17(23(24)31)11(2)26-14-7-5-13(25)6-8-14/h5-9,26,29-30H,1-4H3/b17-11+/t24-/m0/s1
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n/an/a 260n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured at 1 min interval by fluorimet...


J Nat Prod 79: 2961-2967 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00979
BindingDB Entry DOI: 10.7270/Q20C4Z0H
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463386
PNG
(CHEMBL4242317)
Show SMILES COc1ccc(\C=C2/Oc3c(C2=O)c2OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c2c(O)c3C)cc1
Show InChI InChI=1S/C26H20O8/c1-11-21(29)20-24(34-17-10-15(28)18(12(2)27)25(31)26(17,20)3)19-22(30)16(33-23(11)19)9-13-5-7-14(32-4)8-6-13/h5-10,28-29H,1-4H3/b16-9-/t26-/m0/s1
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n/an/a 340n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463365
PNG
(CHEMBL4251391)
Show SMILES COc1ccc(\C=C2/Oc3c(C2=O)c2OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c2c(O)c3C)c(OC)c1OC
Show InChI InChI=1S/C28H24O10/c1-11-21(31)20-26(38-17-10-14(30)18(12(2)29)27(33)28(17,20)3)19-22(32)16(37-23(11)19)9-13-7-8-15(34-4)25(36-6)24(13)35-5/h7-10,30-31H,1-6H3/b16-9-/t28-/m0/s1
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n/an/a 340n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463374
PNG
(CHEMBL3356738)
Show SMILES COc1ccccc1\C=C1/Oc2c(C1=O)c1OC3=CC(O)=C(C(C)=O)C(=O)[C@]3(C)c1c(O)c2C
Show InChI InChI=1S/C26H20O8/c1-11-21(29)20-24(34-17-10-14(28)18(12(2)27)25(31)26(17,20)3)19-22(30)16(33-23(11)19)9-13-7-5-6-8-15(13)32-4/h5-10,28-29H,1-4H3/b16-9-/t26-/m0/s1
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n/an/a 390n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463370
PNG
(CHEMBL3356741)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1cccnc1
Show InChI InChI=1S/C24H17NO7/c1-10-19(28)18-22(32-15-8-13(27)16(11(2)26)23(30)24(15,18)3)17-20(29)14(31-21(10)17)7-12-5-4-6-25-9-12/h4-9,27-28H,1-3H3/b14-7-/t24-/m0/s1
PDB

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n/an/a 450n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463369
PNG
(CHEMBL4240521)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1cc(Br)cc(Br)c1
Show InChI InChI=1S/C25H16Br2O7/c1-9-20(30)19-23(34-16-8-14(29)17(10(2)28)24(32)25(16,19)3)18-21(31)15(33-22(9)18)6-11-4-12(26)7-13(27)5-11/h4-8,29-30H,1-3H3/b15-6-/t25-/m0/s1
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n/an/a 530n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50232845
PNG
(CHEMBL2207625)
Show SMILES CC(=O)c1c2OC3=CC(=O)\C(=C(\C)Nc4ccc(Br)cc4)C(=O)[C@@]3(C)c2c(O)c(C)c1O
Show InChI InChI=1S/C24H20BrNO6/c1-10-20(29)18(12(3)27)22-19(21(10)30)24(4)16(32-22)9-15(28)17(23(24)31)11(2)26-14-7-5-13(25)6-8-14/h5-9,26,29-30H,1-4H3/b17-11+/t24-/m1/s1
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n/an/a 570n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured at 1 min interval by fluorimet...


J Nat Prod 79: 2961-2967 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00979
BindingDB Entry DOI: 10.7270/Q20C4Z0H
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463388
PNG
(CHEMBL4240984)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1cc(Br)cs1
Show InChI InChI=1S/C23H15BrO7S/c1-8-18(27)17-21(31-14-6-12(26)15(9(2)25)22(29)23(14,17)3)16-19(28)13(30-20(8)16)5-11-4-10(24)7-32-11/h4-7,26-27H,1-3H3/b13-5-/t23-/m0/s1
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n/an/a 600n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463363
PNG
(CHEMBL4237246)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1sccc1C
Show InChI InChI=1S/C24H18O7S/c1-9-5-6-32-14(9)8-13-20(28)17-21(30-13)10(2)19(27)18-22(17)31-15-7-12(26)16(11(3)25)23(29)24(15,18)4/h5-8,26-27H,1-4H3/b13-8-/t24-/m0/s1
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n/an/a 630n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463369
PNG
(CHEMBL4240521)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1cc(Br)cc(Br)c1
Show InChI InChI=1S/C25H16Br2O7/c1-9-20(30)19-23(34-16-8-14(29)17(10(2)28)24(32)25(16,19)3)18-21(31)15(33-22(9)18)6-11-4-12(26)7-13(27)5-11/h4-8,29-30H,1-3H3/b15-6-/t25-/m0/s1
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n/an/a 640n/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) using 5'-([32P]-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured after 20 mins by electrophoresis...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50197097
PNG
(CHEMBL3909527)
Show SMILES CC1(C)[C@H]2C[C@@H]1C(COc1ccc3c4CCCc4c(=O)oc3c1)=CC2
Show InChI InChI=1S/C22H24O3/c1-22(2)14-7-6-13(19(22)10-14)12-24-15-8-9-17-16-4-3-5-18(16)21(23)25-20(17)11-15/h6,8-9,11,14,19H,3-5,7,10,12H2,1-2H3/t14-,19-/m1/s1
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n/an/a 675n/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) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463360
PNG
(CHEMBL4237606)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccccc1
Show InChI InChI=1S/C25H18O7/c1-11-20(28)19-23(32-16-10-14(27)17(12(2)26)24(30)25(16,19)3)18-21(29)15(31-22(11)18)9-13-7-5-4-6-8-13/h4-10,27-28H,1-3H3/b15-9-/t25-/m0/s1
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n/an/a 720n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50232846
PNG
(CHEMBL4069136)
Show SMILES CC(=O)c1c2OC3=CC(=O)\C(=C(\C)Nc4cccc(Br)c4)C(=O)C3(C)c2c(O)c(C)c1O
Show InChI InChI=1S/C24H20BrNO6/c1-10-20(29)18(12(3)27)22-19(21(10)30)24(4)16(32-22)9-15(28)17(23(24)31)11(2)26-14-7-5-6-13(25)8-14/h5-9,26,29-30H,1-4H3/b17-11+
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n/an/a 750n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured at 1 min interval by fluorimet...


J Nat Prod 79: 2961-2967 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00979
BindingDB Entry DOI: 10.7270/Q20C4Z0H
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50232849
PNG
(CHEMBL4102274)
Show SMILES CC(=O)c1c2OC3=CC(=O)\C(=C(\C)NCCc4ccc(O)cc4)C(=O)[C@]3(C)c2c(O)c(C)c1O
Show InChI InChI=1S/C26H25NO7/c1-12-22(31)20(14(3)28)24-21(23(12)32)26(4)18(34-24)11-17(30)19(25(26)33)13(2)27-10-9-15-5-7-16(29)8-6-15/h5-8,11,27,29,31-32H,9-10H2,1-4H3/b19-13+/t26-/m0/s1
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n/an/a 790n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured at 1 min interval by fluorimet...


J Nat Prod 79: 2961-2967 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00979
BindingDB Entry DOI: 10.7270/Q20C4Z0H
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463387
PNG
(CHEMBL3356740)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccncc1
Show InChI InChI=1S/C24H17NO7/c1-10-19(28)18-22(32-15-9-13(27)16(11(2)26)23(30)24(15,18)3)17-20(29)14(31-21(10)17)8-12-4-6-25-7-5-12/h4-9,27-28H,1-3H3/b14-8-/t24-/m0/s1
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n/an/a 810n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463362
PNG
(CHEMBL4237693)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccc(C)s1
Show InChI InChI=1S/C24H18O7S/c1-9-5-6-12(32-9)7-14-20(28)17-21(30-14)10(2)19(27)18-22(17)31-15-8-13(26)16(11(3)25)23(29)24(15,18)4/h5-8,26-27H,1-4H3/b14-7-/t24-/m0/s1
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n/an/a 840n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463377
PNG
(CHEMBL4238219)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccccn1
Show InChI InChI=1S/C24H17NO7/c1-10-19(28)18-22(32-15-9-13(27)16(11(2)26)23(30)24(15,18)3)17-20(29)14(31-21(10)17)8-12-6-4-5-7-25-12/h4-9,27-28H,1-3H3/b14-8-/t24-/m0/s1
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n/an/a 860n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50397314
PNG
(CHEMBL2170127)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C10H7NO4S2/c12-5-2-1-4(7(13)8(5)14)3-6-9(16)11-10(15)17-6/h1-3,12-14H,(H,11,15,16)
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n/an/a 870n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...


J Med Chem 55: 8671-84 (2012)


Article DOI: 10.1021/jm3008773
BindingDB Entry DOI: 10.7270/Q2MP54D1
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463367
PNG
(CHEMBL4247712)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1cccs1
Show InChI InChI=1S/C23H16O7S/c1-9-18(26)17-21(16-19(27)13(29-20(9)16)7-11-5-4-6-31-11)30-14-8-12(25)15(10(2)24)22(28)23(14,17)3/h4-8,25-26H,1-3H3/b13-7-/t23-/m0/s1
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n/an/a 900n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50232836
PNG
(CHEMBL2207621)
Show SMILES CC(=O)c1c2OC3=CC(=O)\C(=C(\C)Nc4ccc(F)cc4)C(=O)[C@@]3(C)c2c(O)c(C)c1O
Show InChI InChI=1S/C24H20FNO6/c1-10-20(29)18(12(3)27)22-19(21(10)30)24(4)16(32-22)9-15(28)17(23(24)31)11(2)26-14-7-5-13(25)6-8-14/h5-9,26,29-30H,1-4H3/b17-11+/t24-/m1/s1
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n/an/a 940n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured at 1 min interval by fluorimet...


J Nat Prod 79: 2961-2967 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00979
BindingDB Entry DOI: 10.7270/Q20C4Z0H
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463385
PNG
(CHEMBL4241774)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccc(F)cc1
Show InChI InChI=1S/C25H17FO7/c1-10-20(29)19-23(33-16-9-14(28)17(11(2)27)24(31)25(16,19)3)18-21(30)15(32-22(10)18)8-12-4-6-13(26)7-5-12/h4-9,28-29H,1-3H3/b15-8-/t25-/m0/s1
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n/an/a 980n/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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50269845
PNG
(CHEMBL4077630)
Show SMILES Oc1ccc(cc1)[C@H]1[C@@H]([C@@H]([C@H]1c1cc(O)cc(=O)o1)c1ccc(O)cc1)c1cc(O)cc(=O)o1
Show InChI InChI=1S/C26H20O8/c27-15-5-1-13(2-6-15)23-25(19-9-17(29)11-21(31)33-19)24(14-3-7-16(28)8-4-14)26(23)20-10-18(30)12-22(32)34-20/h1-12,23-30H/t23-,24-,25-,26-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Tdp1 (unknown origin) using 5'-(6-TAMN-AGGATCTAAAAGACTT-BHQ-)3' as substrate pretreated for 30 mins followed by substrate addition by f...


Bioorg Med Chem Lett 27: 4007-4010 (2017)

More data for this
Ligand-Target Pair
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))
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))
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))
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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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) 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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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) 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))
BDBM50237804
PNG
(CHEMBL4097105)
Show SMILES COc1cnc-2c(c1)C(=O)c1c-2n(CCCNC2=NCCS2)c(=O)c2cc(ccc12)[N+]([O-])=O
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))
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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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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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 (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))
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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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))
BDBM50095838
PNG
(CHEMBL3590600)
Show SMILES COc1cc(C[C@@H](CO)O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Show InChI InChI=1S/C14H18N6O4/c15-11-7-12(17-4-16-11)20(5-18-7)14-9(22)8(21)10(24-14)13(23)19-6-2-1-3-6/h4-6,8-10,14,21-22H,1-3H2,(H,19,23)(H2,15,16,17)/t8?,9?,10-,14+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Tdp1 (unknown origin) incubated for 30 mins using 5'-/6-TAMN/AGGATCTAAAAGACTT/3BHQ_2/-3' substrate by microplate reader based assay


J Nat Prod 78: 1756-60 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00211
BindingDB Entry DOI: 10.7270/Q22R3TD8
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50095839
PNG
(CHEMBL3590599)
Show SMILES COc1ccc(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)cc1OC
Show InChI InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4?,5?,6-,10+/m0/s1
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Tdp1 (unknown origin) incubated for 30 mins using 5'-/6-TAMN/AGGATCTAAAAGACTT/3BHQ_2/-3' substrate by microplate reader based assay


J Nat Prod 78: 1756-60 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00211
BindingDB Entry DOI: 10.7270/Q22R3TD8
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50158383
PNG
(2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H33BrO5S/c1-26-13-11-19(29)15-17(26)3-8-21-22-9-10-24(27(22,2)14-12-23(21)26)25(30)16-33-34(31,32)20-6-4-18(28)5-7-20/h4-7,15,21-24H,3,8-14,16H2,1-2H3/t21-,22-,23-,24+,26-,27-/m0/s1
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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]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...


J Med Chem 56: 182-200 (2013)


Article DOI: 10.1021/jm3014458
BindingDB Entry DOI: 10.7270/Q2MS3V3Z
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50463375
PNG
(CHEMBL4243326)
Show SMILES COc1ccc(\C=C2/Oc3c(C2=O)c2OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c2c(O)c3C)cc1OC
Show InChI InChI=1S/C27H22O9/c1-11-22(30)21-25(36-18-10-14(29)19(12(2)28)26(32)27(18,21)3)20-23(31)17(35-24(11)20)9-13-6-7-15(33-4)16(8-13)34-5/h6-10,29-30H,1-5H3/b17-9-/t27-/m0/s1
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n/an/a 1.02E+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) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fl...


Bioorg Med Chem 26: 4470-4480 (2018)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50197102
PNG
(CHEMBL3980694)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(CCOc1ccc3c4CCCc4c(=O)oc3c1)=CC2
Show InChI InChI=1S/C23H26O3/c1-23(2)15-7-6-14(20(23)12-15)10-11-25-16-8-9-18-17-4-3-5-19(17)22(24)26-21(18)13-16/h6,8-9,13,15,20H,3-5,7,10-12H2,1-2H3/t15-,20-/m0/s1
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n/an/a 1.09E+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) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
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