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Found 214 hits Enz. Inhib. hit(s) with Target = 'Apurinic-apyrimidinic endonuclease 1 (APE-1)'   
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
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM26621
PNG
(4-[dihydroxy(oxo)--stibanyl]-2-nitrobenzoic acid |...)
Show SMILES OC(=O)c1ccc(cc1[N+]([O-])=O)[Sb](O)(O)=O
Show InChI InChI=1S/C7H4NO4.2H2O.O.Sb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;/h1,3-4H,(H,9,10);2*1H2;;/q;;;;+2/p-2
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19 -43.6 4n/an/an/an/a7.522



The Johns Hopkins University



Assay Description
The screening assay was performed using 384-well microtiter plate first spotted with test compounds. Then Ape1 in reaction buffer was added to each w...


Mol Pharmacol 73: 669-77 (2008)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM26622
PNG
(Compound 13793 | ethyl 4-{4-[dihydroxy(oxo)--stiba...)
Show SMILES CCOC(=O)CCCc1ccc(cc1)[Sb](O)(O)=O
Show InChI InChI=1S/C12H15O2.2H2O.O.Sb/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11;;;;/h4-5,7-8H,2,6,9-10H2,1H3;2*1H2;;/q;;;;+2/p-2
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36 -42.1 17n/an/an/an/a7.522



The Johns Hopkins University



Assay Description
The screening assay was performed using 384-well microtiter plate first spotted with test compounds. Then Ape1 in reaction buffer was added to each w...


Mol Pharmacol 73: 669-77 (2008)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM92732
PNG
(NSC332395, 4)
Show SMILES CCn1c2ccccc2c2cc(CN=Nc3cc(C)nc4cc5OCOc5cc34)ccc12
Show InChI InChI=1S/C26H22N4O2/c1-3-30-23-7-5-4-6-18(23)19-11-17(8-9-24(19)30)14-27-29-22-10-16(2)28-21-13-26-25(12-20(21)22)31-15-32-26/h4-13H,3,14-15H2,1-2H3
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120n/an/an/an/an/an/an/an/a



University of Pittsburgh



Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described.


Biochemistry 51: 6246-59 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM92729
PNG
(NSC332398, 1)
Show SMILES CC(N=Nc1cc(C)nc2cc3OCOc3cc12)c1cn(C)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C23H21N5O3/c1-14-9-20(17-10-21-22(31-13-30-21)11-19(17)24-14)26-25-15(2)18-12-27(3)28(23(18)29)16-7-5-4-6-8-16/h4-12,15H,13H2,1-3H3
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180n/an/an/an/an/an/an/an/a



University of Pittsburgh



Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described.


Biochemistry 51: 6246-59 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM92731
PNG
(NSC332389, 3)
Show SMILES Cc1cc(N=NCc2ccc3OCOc3c2)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C19H15N3O4/c1-11-4-15(13-6-18-19(26-10-25-18)7-14(13)21-11)22-20-8-12-2-3-16-17(5-12)24-9-23-16/h2-7H,8-10H2,1H3
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190n/an/an/an/an/an/an/an/a



University of Pittsburgh



Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described.


Biochemistry 51: 6246-59 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM92730
PNG
(NSC332384, 2)
Show SMILES COc1cccc(CN=Nc2cc(C)nc3cc4OCOc4cc23)c1
Show InChI InChI=1S/C19H17N3O3/c1-12-6-17(22-20-10-13-4-3-5-14(7-13)23-2)15-8-18-19(25-11-24-18)9-16(15)21-12/h3-9H,10-11H2,1-2H3
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220n/an/an/an/an/an/an/an/a



University of Pittsburgh



Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described.


Biochemistry 51: 6246-59 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM92733
PNG
(NSC332396, 5)
Show SMILES Cc1c(CN=Nc2cc(C)nc3cc4OCOc4cc23)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C23H21N5O3/c1-14-9-20(17-10-21-22(31-13-30-21)11-19(17)25-14)26-24-12-18-15(2)27(3)28(23(18)29)16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3
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680n/an/an/an/an/an/an/an/a



University of Pittsburgh



Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described.


Biochemistry 51: 6246-59 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM92740
PNG
(NSC614430, 13)
Show SMILES Nc1nnc2nc(CC(=O)c3ccccc3[N+]([O-])=O)c(CC(=O)c3ccccc3[N+]([O-])=O)nn12
Show InChI InChI=1S/C20H14N8O6/c21-19-23-24-20-22-13(9-17(29)11-5-1-3-7-15(11)27(31)32)14(25-26(19)20)10-18(30)12-6-2-4-8-16(12)28(33)34/h1-8H,9-10H2,(H2,21,23)
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4.90E+3n/an/an/an/an/an/an/an/a



University of Pittsburgh



Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described.


Biochemistry 51: 6246-59 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM92738
PNG
(NSC131534, 11)
Show SMILES COc1ccc(cc1)[C-](Cc1ccccc1)\N=[NH+]\c1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C21H17N4O5/c1-30-18-10-7-16(8-11-18)19(13-15-5-3-2-4-6-15)23-22-17-9-12-20(24(26)27)21(14-17)25(28)29/h2-12,14H,13H2,1H3/q-1/p+1/b23-22+
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6.70E+3n/an/an/an/an/an/an/an/a



University of Pittsburgh



Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described.


Biochemistry 51: 6246-59 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM92735
PNG
(NSC300598, 7)
Show SMILES CC(N=Nc1cc(C)nc2ccc(C)cc12)c1cn(C)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C23H23N5O/c1-15-10-11-21-19(12-15)22(13-16(2)24-21)26-25-17(3)20-14-27(4)28(23(20)29)18-8-6-5-7-9-18/h5-14,17H,1-4H3
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1.09E+4n/an/an/an/an/an/an/an/a



University of Pittsburgh



Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described.


Biochemistry 51: 6246-59 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM92736
PNG
(NSC89640, 9)
Show SMILES OC(=O)C(CCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C18H18N6O10/c25-18(26)15(20-14-7-5-12(22(29)30)10-17(14)24(33)34)3-1-2-8-19-13-6-4-11(21(27)28)9-16(13)23(31)32/h4-7,9-10,15,19-20H,1-3,8H2,(H,25,26)
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1.30E+4n/an/an/an/an/an/an/an/a



University of Pittsburgh



Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described.


Biochemistry 51: 6246-59 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM92737
PNG
(NSC107215, 10)
Show SMILES [O-][N+](=O)c1ccc(\C=C\C(=O)NCCCCNC(=O)\C=C/c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H22N4O6/c27-21(13-7-17-3-9-19(10-4-17)25(29)30)23-15-1-2-16-24-22(28)14-8-18-5-11-20(12-6-18)26(31)32/h3-14H,1-2,15-16H2,(H,23,27)(H,24,28)/b13-7-,14-8+
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1.70E+4n/an/an/an/an/an/an/an/a



University of Pittsburgh



Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described.


Biochemistry 51: 6246-59 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM92739
PNG
(NSC375491, 12)
Show SMILES COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3cc4OCOc4cc23)c(OC)c1
Show InChI InChI=1S/C24H24O6/c1-24(2)10-16(25)23-21(11-24)30-18-9-20-19(28-12-29-20)8-15(18)22(23)14-6-5-13(26-3)7-17(14)27-4/h5-9,22H,10-12H2,1-4H3
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3.20E+4n/an/an/an/an/an/an/an/a



University of Pittsburgh



Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described.


Biochemistry 51: 6246-59 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM92741
PNG
(NSC402686, 14)
Show SMILES O=C(CC(=Nc1ccccc1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17NO2/c24-21(17-10-4-1-5-11-17)16-20(23-19-14-8-3-9-15-19)22(25)18-12-6-2-7-13-18/h1-15H,16H2
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3.70E+4n/an/an/an/an/an/an/an/a



University of Pittsburgh



Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described.


Biochemistry 51: 6246-59 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50436204
PNG
(CHEMBL109037)
Show SMILES NC(Cc1cc(O)c(O)cc1O)C(O)=O
Show InChI InChI=1S/C9H11NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,11-13H,1,10H2,(H,14,15)
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n/an/a 110n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of human APE1 after 25 mins by fluorescence assay


J Med Chem 57: 10241-56 (2014)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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n/an/a 200n/an/an/an/a7.522



The Johns Hopkins University



Assay Description
The screening assay was performed using 384-well microtiter plate first spotted with test compounds. Then Ape1 in reaction buffer was added to each w...


Mol Pharmacol 73: 669-77 (2008)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM203861
PNG
((5-(acetylamino)-2-[2-(4-isothiocyanato-3-sulfophe...)
Show SMILES CC(=O)Nc1ccc(\C=C\c2ccc(N=C=S)c(c2)S([O-])(=O)=O)c(c1)S([O-])(=O)=O
Show InChI InChI=1S/C17H14N2O7S3/c1-11(20)19-14-6-5-13(16(9-14)28(21,22)23)4-2-12-3-7-15(18-10-27)17(8-12)29(24,25)26/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)/p-2/b4-2+
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n/an/a 250n/an/an/an/an/an/a



Universidade de Lisboa



Assay Description
In this assay, the complementary single-stranded oligonucleotides at 100 μm were mixed at a 1:1 ratio and annealed in assay buffer (50 mm Tris pH ...


Chem Biol Drug Des 88: 915-925 (2016)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM26618
PNG
(Compound 15596 | N-{4-[dihydroxy(oxo)--stibanyl]ph...)
Show SMILES O[Sb](O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C13H10NO.2H2O.O.Sb/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12;;;;/h1,3-10H,(H,14,15);2*1H2;;/q;;;;+2/p-2
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n/an/a 300n/an/an/an/a7.522



The Johns Hopkins University



Assay Description
The screening assay was performed using 384-well microtiter plate first spotted with test compounds. Then Ape1 in reaction buffer was added to each w...


Mol Pharmacol 73: 669-77 (2008)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50303967
PNG
((E)-3-(3-Chloro-1,4-naphthoquinon-2-yl)-2-methylpr...)
Show SMILES C\C(=C/C1=C(Cl)C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C14H9ClO4/c1-7(14(18)19)6-10-11(15)13(17)9-5-3-2-4-8(9)12(10)16/h2-6H,1H3,(H,18,19)/b7-6+
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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 Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSA


J Med Chem 53: 1200-10 (2010)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50303973
PNG
((E)-N-(2-Hydroxyethyl)-3-(3-chloro-1,4-dioxonaphth...)
Show SMILES C\C(=C/C1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)NCCO
Show InChI InChI=1S/C16H14ClNO4/c1-9(16(22)18-6-7-19)8-12-13(17)15(21)11-5-3-2-4-10(11)14(12)20/h2-5,8,19H,6-7H2,1H3,(H,18,22)/b9-8+
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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 Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSA


J Med Chem 53: 1200-10 (2010)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50303972
PNG
((E)-3-(3-Bromo-1,4-naphthoquinon-2-yl)-2-methoxyet...)
Show SMILES COCC\C(=C/C1=C(Br)C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C16H13BrO5/c1-22-7-6-9(16(20)21)8-12-13(17)15(19)11-5-3-2-4-10(11)14(12)18/h2-5,8H,6-7H2,1H3,(H,20,21)/b9-8+
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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 Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSA


J Med Chem 53: 1200-10 (2010)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50303964
PNG
((E)-3-(3-Methoxy-1,4-naphthoquinon-2-yl)-2-methylp...)
Show SMILES COC1=C(\C=C(/C)C(O)=O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H12O5/c1-8(15(18)19)7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)20-2/h3-7H,1-2H3,(H,18,19)/b8-7+
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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 Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSA


J Med Chem 53: 1200-10 (2010)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50303965
PNG
((E)-3-(3-Methylthio-1,4-naphthoquinon-2-yl)-2-meth...)
Show SMILES CSC1=C(\C=C(/C)C(O)=O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H12O4S/c1-8(15(18)19)7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)20-2/h3-7H,1-2H3,(H,18,19)/b8-7+
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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 Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSA


J Med Chem 53: 1200-10 (2010)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM114652
PNG
(CHEMBL1706858 | MLS003178551 | N-[3-(1,3-benzothia...)
Show SMILES CC(=O)Nc1sc2CNCc2c1-c1nc2ccccc2s1
Show InChI InChI=1S/C15H13N3OS2/c1-8(19)17-14-13(9-6-16-7-12(9)21-14)15-18-10-4-2-3-5-11(10)20-15/h2-5,16H,6-7H2,1H3,(H,17,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant APE1 using [35P]-5'-AP-DNA as substrate incubated for 15 mins prior to substrate addition measured after 5 mins by PAGE ana...


J Med Chem 55: 3101-12 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM83759
PNG
((2,4,9-trimethylbenzo[b][1,8]naphthyridin-5-yl)ami...)
Show SMILES Cc1cc(C)c2c(N)c3cccc(C)c3nc2n1
Show InChI InChI=1S/C15H15N3/c1-8-5-4-6-11-13(16)12-9(2)7-10(3)17-15(12)18-14(8)11/h4-7H,1-3H3,(H2,16,17,18)
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n/an/a 1.50E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human APE1 expressed in Escherichia coli rosetta using fluorescein-dabcyl-containing oligonucleotide as substrate after 5 mins by fluor...


J Med Chem 55: 3101-12 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50303969
PNG
((E)-3-(3-Bromo-1,4-naphthoquinon-2-yl)-2-methylpro...)
Show SMILES C\C(=C/C1=C(Br)C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C14H9BrO4/c1-7(14(18)19)6-10-11(15)13(17)9-5-3-2-4-8(9)12(10)16/h2-6H,1H3,(H,18,19)/b7-6+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSA


J Med Chem 53: 1200-10 (2010)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM46793
PNG
(CHEMBL1617574 | MLS000419194 | N-[3-(1,3-benzothia...)
Show SMILES CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1
Show InChI InChI=1S/C19H21N3OS2/c1-11(2)22-9-8-13-16(10-22)25-18(20-12(3)23)17(13)19-21-14-6-4-5-7-15(14)24-19/h4-7,11H,8-10H2,1-3H3,(H,20,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APE1 after 15 mins by fluorescence based HTS assay


J Med Chem 55: 3101-12 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50303968
PNG
((Z)-3-(3-Chloro-1,4-naphthoquinon-2-yl)-2-methylpr...)
Show SMILES C\C(=C\C1=C(Cl)C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C14H9ClO4/c1-7(14(18)19)6-10-11(15)13(17)9-5-3-2-4-8(9)12(10)16/h2-6H,1H3,(H,18,19)/b7-6-
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n/an/a 2.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSA


J Med Chem 53: 1200-10 (2010)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM92731
PNG
(NSC332389, 3)
Show SMILES Cc1cc(N=NCc2ccc3OCOc3c2)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C19H15N3O4/c1-11-4-15(13-6-18-19(26-10-25-18)7-14(13)21-11)22-20-8-12-2-3-16-17(5-12)24-9-23-16/h2-7H,8-10H2,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Pittsburgh



Assay Description
In addition to the real-time fluorescence assay for studying inhibition of APE-1 activity, we also employed a gel-based assay to visualize and quanti...


Biochemistry 51: 6246-59 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50388242
PNG
(CHEMBL1700271)
Show SMILES CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C21H23N3OS2/c1-13(2)24-10-9-16-18(11-24)27-21(22-14(3)25)19(16)20-23-17(12-26-20)15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3,(H,22,25)
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n/an/a 2.90E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APE1 after 15 mins by fluorescence based HTS assay


J Med Chem 55: 3101-12 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50388236
PNG
(CHEMBL1721230)
Show SMILES CC(=O)Nc1sc2CNCCc2c1-c1nc2ccccc2s1
Show InChI InChI=1S/C16H15N3OS2/c1-9(20)18-15-14(10-6-7-17-8-13(10)22-15)16-19-11-4-2-3-5-12(11)21-16/h2-5,17H,6-8H2,1H3,(H,18,20)
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n/an/a 2.90E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APE1 after 15 mins by fluorescence based HTS assay


J Med Chem 55: 3101-12 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM26602
PNG
(2-{5-[(3Z)-1-(carboxymethyl)-2-oxo-2,3-dihydro-1H-...)
Show SMILES OC(=O)CN1C(=O)\C(=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)c2ccccc12
Show InChI InChI=1S/C22H16N2O6S2/c25-16(26)11-23-14-9-5-4-8-13(14)17(19(23)27)18-20(28)24(22(31)32-18)15(21(29)30)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,25,26)(H,29,30)/b18-17-
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Southern California



Assay Description
To determine the extent of abasic residue cleavage by APE1, recombinant APE1 was preincubated with the potential inhibitors in reaction buffer. Then,...


J Med Chem 52: 20-32 (2009)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50388242
PNG
(CHEMBL1700271)
Show SMILES CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C21H23N3OS2/c1-13(2)24-10-9-16-18(11-24)27-21(22-14(3)25)19(16)20-23-17(12-26-20)15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3,(H,22,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant APE1 using [35P]-5'-AP-DNA as substrate incubated for 15 mins prior to substrate addition measured after 5 mins by PAGE ana...


J Med Chem 55: 3101-12 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50303971
PNG
((E)-2-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2...)
Show SMILES COCC\C(=C/C1=C(Cl)C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C16H13ClO5/c1-22-7-6-9(16(20)21)8-12-13(17)15(19)11-5-3-2-4-10(11)14(12)18/h2-5,8H,6-7H2,1H3,(H,20,21)/b9-8+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSA


J Med Chem 53: 1200-10 (2010)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50030281
PNG
(CHEMBL1870764)
Show SMILES OC(=O)c1cc2cccc([N+]([O-])=O)c2[nH]1
Show InChI InChI=1S/C9H6N2O4/c12-9(13)6-4-5-2-1-3-7(11(14)15)8(5)10-6/h1-4,10H,(H,12,13)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of human APE1 after 25 mins by fluorescence assay


J Med Chem 57: 10241-56 (2014)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50303957
PNG
((E)-3-(5,6-Dimethoxy-3-methyl-1,4-dioxocyclohexa-2...)
Show SMILES COC1=C(OC)C(=O)C(C=C(C)C(O)=O)=C(C)C1=O
Show InChI InChI=1S/C13H14O6/c1-6(13(16)17)5-8-7(2)9(14)11(18-3)12(19-4)10(8)15/h5H,1-4H3,(H,16,17)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSA


J Med Chem 53: 1200-10 (2010)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50303959
PNG
((E)-3-(3-Chloro-5,6-dimethoxy-1,4-dioxocyclohexa-2...)
Show SMILES COC1=C(OC)C(=O)C(\C=C(/C)C(O)=O)=C(Cl)C1=O
Show InChI InChI=1S/C12H11ClO6/c1-5(12(16)17)4-6-7(13)9(15)11(19-3)10(18-2)8(6)14/h4H,1-3H3,(H,16,17)/b5-4+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSA


J Med Chem 53: 1200-10 (2010)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50303962
PNG
((E)-3-(1,4-Naphthoquinon-2-yl)-2-methylpropenoic a...)
Show SMILES C\C(=C/C1=CC(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C14H10O4/c1-8(14(17)18)6-9-7-12(15)10-4-2-3-5-11(10)13(9)16/h2-7H,1H3,(H,17,18)/b8-6+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSA


J Med Chem 53: 1200-10 (2010)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM114649
PNG
(CHEMBL1698064 | MLS002607791 | N-[3-(1,3-benzothia...)
Show SMILES CC(C)N1Cc2sc(NC(C)=O)c(-c3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C18H19N3OS2/c1-10(2)21-8-12-15(9-21)24-17(19-11(3)22)16(12)18-20-13-6-4-5-7-14(13)23-18/h4-7,10H,8-9H2,1-3H3,(H,19,22)
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n/an/a 3.10E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APE1 after 15 mins by fluorescence based HTS assay


J Med Chem 55: 3101-12 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM114652
PNG
(CHEMBL1706858 | MLS003178551 | N-[3-(1,3-benzothia...)
Show SMILES CC(=O)Nc1sc2CNCc2c1-c1nc2ccccc2s1
Show InChI InChI=1S/C15H13N3OS2/c1-8(19)17-14-13(9-6-16-7-12(9)21-14)15-18-10-4-2-3-5-11(10)20-15/h2-5,16H,6-7H2,1H3,(H,17,19)
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n/an/a 3.30E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APE1 after 15 mins by fluorescence based HTS assay


J Med Chem 55: 3101-12 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50388248
PNG
(CHEMBL1720543)
Show SMILES FC(F)C(=O)Nc1sc2CNCCc2c1-c1nc2ccccc2s1
Show InChI InChI=1S/C16H13F2N3OS2/c17-13(18)14(22)21-16-12(8-5-6-19-7-11(8)24-16)15-20-9-3-1-2-4-10(9)23-15/h1-4,13,19H,5-7H2,(H,21,22)
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n/an/a 3.80E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APE1 after 15 mins by fluorescence based HTS assay


J Med Chem 55: 3101-12 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM114653
PNG
(CHEMBL1719929 | MLS003178552 | N-[3-(1,3-benzothia...)
Show SMILES CN1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1
Show InChI InChI=1S/C17H17N3OS2/c1-10(21)18-16-15(11-7-8-20(2)9-14(11)23-16)17-19-12-5-3-4-6-13(12)22-17/h3-6H,7-9H2,1-2H3,(H,18,21)
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n/an/a 3.80E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APE1 after 15 mins by fluorescence based HTS assay


J Med Chem 55: 3101-12 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM114649
PNG
(CHEMBL1698064 | MLS002607791 | N-[3-(1,3-benzothia...)
Show SMILES CC(C)N1Cc2sc(NC(C)=O)c(-c3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C18H19N3OS2/c1-10(2)21-8-12-15(9-21)24-17(19-11(3)22)16(12)18-20-13-6-4-5-7-14(13)23-18/h4-7,10H,8-9H2,1-3H3,(H,19,22)
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n/an/a 4.00E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant APE1 using [35P]-5'-AP-DNA as substrate incubated for 15 mins prior to substrate addition measured after 5 mins by PAGE ana...


J Med Chem 55: 3101-12 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM26576
PNG
(3-[1-(carboxymethyl)-5-(4-chlorophenyl)-1H-pyrrol-...)
Show SMILES OC(=O)CCc1ccc(-c2ccc(Cl)cc2)n1CC(O)=O
Show InChI InChI=1S/C15H14ClNO4/c16-11-3-1-10(2-4-11)13-7-5-12(6-8-14(18)19)17(13)9-15(20)21/h1-5,7H,6,8-9H2,(H,18,19)(H,20,21)
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n/an/a 4.00E+3n/an/an/an/a7.530



University of Southern California



Assay Description
To determine the extent of abasic residue cleavage by APE1, recombinant APE1 was preincubated with the potential inhibitors in reaction buffer. Then,...


J Med Chem 52: 20-32 (2009)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50388248
PNG
(CHEMBL1720543)
Show SMILES FC(F)C(=O)Nc1sc2CNCCc2c1-c1nc2ccccc2s1
Show InChI InChI=1S/C16H13F2N3OS2/c17-13(18)14(22)21-16-12(8-5-6-19-7-11(8)24-16)15-20-9-3-1-2-4-10(9)23-15/h1-4,13,19H,5-7H2,(H,21,22)
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n/an/a 4.00E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant APE1 using [35P]-5'-AP-DNA as substrate incubated for 15 mins prior to substrate addition measured after 5 mins by PAGE ana...


J Med Chem 55: 3101-12 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50303966
PNG
((E)-3-(3-Fluoro-1,4-naphthoquinon-2-yl)-2-methylpr...)
Show SMILES C\C(=C/C1=C(F)C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C14H9FO4/c1-7(14(18)19)6-10-11(15)13(17)9-5-3-2-4-8(9)12(10)16/h2-6H,1H3,(H,18,19)/b7-6+
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n/an/a 4.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSA


J Med Chem 53: 1200-10 (2010)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM26580
PNG
(4-({4-[(4-carboxyphenyl)sulfanyl]benzene}sulfonyl)...)
Show SMILES OC(=O)c1ccc(Sc2ccc(cc2)S(=O)(=O)c2ccc(C(O)=O)c(c2)C(O)=O)cc1
Show InChI InChI=1S/C21H14O8S2/c22-19(23)12-1-3-13(4-2-12)30-14-5-7-15(8-6-14)31(28,29)16-9-10-17(20(24)25)18(11-16)21(26)27/h1-11H,(H,22,23)(H,24,25)(H,26,27)
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n/an/a 4.00E+3n/an/an/an/a7.530



University of Southern California



Assay Description
To determine the extent of abasic residue cleavage by APE1, recombinant APE1 was preincubated with the potential inhibitors in reaction buffer. Then,...


J Med Chem 52: 20-32 (2009)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM26595
PNG
(2-(2-{4-[1-(carboxymethyl)-1H-1,3-benzodiazol-2-yl...)
Show SMILES OC(=O)Cn1c(CCCCc2nc3ccccc3n2CC(O)=O)nc2ccccc12
Show InChI InChI=1S/C22H22N4O4/c27-21(28)13-25-17-9-3-1-7-15(17)23-19(25)11-5-6-12-20-24-16-8-2-4-10-18(16)26(20)14-22(29)30/h1-4,7-10H,5-6,11-14H2,(H,27,28)(H,29,30)
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n/an/a 4.00E+3n/an/an/an/a7.530



University of Southern California



Assay Description
To determine the extent of abasic residue cleavage by APE1, recombinant APE1 was preincubated with the potential inhibitors in reaction buffer. Then,...


J Med Chem 52: 20-32 (2009)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM92732
PNG
(NSC332395, 4)
Show SMILES CCn1c2ccccc2c2cc(CN=Nc3cc(C)nc4cc5OCOc5cc34)ccc12
Show InChI InChI=1S/C26H22N4O2/c1-3-30-23-7-5-4-6-18(23)19-11-17(8-9-24(19)30)14-27-29-22-10-16(2)28-21-13-26-25(12-20(21)22)31-15-32-26/h4-13H,3,14-15H2,1-2H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Pittsburgh



Assay Description
In addition to the real-time fluorescence assay for studying inhibition of APE-1 activity, we also employed a gel-based assay to visualize and quanti...


Biochemistry 51: 6246-59 (2012)

More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM92729
PNG
(NSC332398, 1)
Show SMILES CC(N=Nc1cc(C)nc2cc3OCOc3cc12)c1cn(C)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C23H21N5O3/c1-14-9-20(17-10-21-22(31-13-30-21)11-19(17)24-14)26-25-15(2)18-12-27(3)28(23(18)29)16-7-5-4-6-8-16/h4-12,15H,13H2,1-3H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Pittsburgh



Assay Description
In addition to the real-time fluorescence assay for studying inhibition of APE-1 activity, we also employed a gel-based assay to visualize and quanti...


Biochemistry 51: 6246-59 (2012)

More data for this
Ligand-Target Pair
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