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PubMed code 30076000

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
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
PDB

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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
PDB

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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
PDB

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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
PDB

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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
PDB

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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))
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
PDB

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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))
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
PDB

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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
PDB

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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))
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
PDB

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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
PDB

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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
PDB

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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
PDB

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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))
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
PDB

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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
PDB

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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
PDB

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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))
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
PDB

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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))
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
PDB

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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


(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))
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))
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))
BDBM50463371
PNG
(CHEMBL4238823)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C25H17ClO7/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 1.22E+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))
BDBM50388602
PNG
(FURAMIDINE)
Show SMILES NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)
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n/an/a 1.23E+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))
BDBM50463361
PNG
(CHEMBL4239619)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccc(O)cc1
Show InChI InChI=1S/C25H18O8/c1-10-20(29)19-23(33-16-9-14(28)17(11(2)26)24(31)25(16,19)3)18-21(30)15(32-22(10)18)8-12-4-6-13(27)7-5-12/h4-9,27-29H,1-3H3/b15-8-/t25-/m0/s1
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n/an/a 1.59E+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))
BDBM50463382
PNG
(CHEMBL4245202)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccsc1
Show InChI InChI=1S/C23H16O7S/c1-9-18(26)17-21(16-19(27)13(29-20(9)16)6-11-4-5-31-8-11)30-14-7-12(25)15(10(2)24)22(28)23(14,17)3/h4-8,25-26H,1-3H3/b13-6-/t23-/m0/s1
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n/an/a 3.30E+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))
BDBM50463366
PNG
(CHEMBL4242057)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccc[nH]1
Show InChI InChI=1S/C23H17NO7/c1-9-18(27)17-21(16-19(28)13(30-20(9)16)7-11-5-4-6-24-11)31-14-8-12(26)15(10(2)25)22(29)23(14,17)3/h4-8,24,26-27H,1-3H3/b13-7-/t23-/m0/s1
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n/an/a 3.65E+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))
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 4.00E+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'-([32P]-aac gtc agg gtc ttc c-tyrosine)-3' as substrate measured after 5 mins by electrophore...


Bioorg Med Chem 26: 4470-4480 (2018)

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


(Homo sapiens (Human))
BDBM50463378
PNG
(CHEMBL4242510)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccco1
Show InChI InChI=1S/C23H16O8/c1-9-18(26)17-21(16-19(27)13(30-20(9)16)7-11-5-4-6-29-11)31-14-8-12(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 5.50E+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))
BDBM50463380
PNG
(CHEMBL4248161)
Show SMILES CC(=O)C1=C(O)C=C2Oc3c4C(=O)\C(Oc4c(C)c(O)c3[C@@]2(C)C1=O)=C\c1ccoc1
Show InChI InChI=1S/C23H16O8/c1-9-18(26)17-21(16-19(27)13(30-20(9)16)6-11-4-5-29-8-11)31-14-7-12(25)15(10(2)24)22(28)23(14,17)3/h4-8,25-26H,1-3H3/b13-6-/t23-/m0/s1
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n/an/a 6.73E+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))
BDBM50463383
PNG
(CHEMBL4244723)
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/C25H24O7/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/h9-10,13,27-28H,4-8H2,1-3H3/b15-9-/t25-/m0/s1
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n/an/a>1.50E+4n/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
* indicates data uncertainty>20%