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Found 214 hits Enz. Inhib. hit(s) with Target = 'Apurinic-apyrimidinic endonuclease 1 (APE-1)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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...


Citation and Details
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...


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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


Citation and Details
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...


Citation and Details
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 ...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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/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,...


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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,...


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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,...


Citation and Details
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,...


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
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