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Compile Data Set for Download or QSAR

Found 333 hits of affinity data for UniProtKB/TrEMBL: P27695   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA-(apurinic or apyrimidinic site) endonuclease


(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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PubMed
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)


Article DOI: 10.1124/mol.107.042622
BindingDB Entry DOI: 10.7270/Q2WS8RJX
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1124/mol.107.042622
BindingDB Entry DOI: 10.7270/Q2WS8RJX
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM318446
PNG
(NSC332395 | US9624235, Compound 4)
Show SMILES CCn1c2ccccc2c2cc(\C=N\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/h4-14H,3,15H2,1-2H3,(H,28,29)/b27-14+
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120n/an/an/an/an/an/an/an/a



University of Pittsburgh

US Patent


Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ...


US Patent US9624235 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92GH
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM318443
PNG
(NSC332398 | US9624235, Compound 1)
Show SMILES C\C(=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/h4-12H,13H2,1-3H3,(H,24,26)/b25-15+
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180n/an/an/an/an/an/an/an/a



University of Pittsburgh

US Patent


Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ...


US Patent US9624235 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92GH
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM318445
PNG
(NSC332389 | US9624235, Compound 3)
Show SMILES Cc1cc(N\N=C\c2ccc3OCOc3c2)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/h2-8H,9-10H2,1H3,(H,21,22)/b20-8+
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190n/an/an/an/an/an/an/an/a



University of Pittsburgh

US Patent


Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ...


US Patent US9624235 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92GH
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM318444
PNG
(NSC332384 | US9624235, Compound 2)
Show SMILES COc1cccc(\C=N\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/h3-10H,11H2,1-2H3,(H,21,22)/b20-10+
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220n/an/an/an/an/an/an/an/a



University of Pittsburgh

US Patent


Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ...


US Patent US9624235 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92GH
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM318448
PNG
(NSC332397 | US9624235, Compound 6)
Show SMILES Cc1cc(N\N=C\c2ccc(o2)[N+]([O-])=O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C16H12N4O5/c1-9-4-13(19-17-7-10-2-3-16(25-10)20(21)22)11-5-14-15(24-8-23-14)6-12(11)18-9/h2-7H,8H2,1H3,(H,18,19)/b17-7+
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640n/an/an/an/an/an/an/an/a



University of Pittsburgh

US Patent


Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ...


US Patent US9624235 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92GH
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM318447
PNG
(NSC332396 | US9624235, Compound 5)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1\C=N\Nc1cc(C)nc2cc3OCOc3cc12
Show InChI InChI=1S/C22H19N5O3/c1-13-8-19(16-9-20-21(30-12-29-20)10-18(16)24-13)25-23-11-17-14(2)26-27(22(17)28)15-6-4-3-5-7-15/h3-11,26H,12H2,1-2H3,(H,24,25)/b23-11+
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680n/an/an/an/an/an/an/an/a



University of Pittsburgh

US Patent


Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ...


US Patent US9624235 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92GH
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM318454
PNG
(NSC614430 | US9624235, Compound 13)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)Cc1nc2n[nH]c(=N)n2nc1CC(=O)c1ccccc1[N+]([O-])=O
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

US Patent


Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ...


US Patent US9624235 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92GH
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM318452
PNG
(NSC131534 | US9624235, Compound 11)
Show SMILES COc1ccc(cc1)C(\Cc1ccccc1)=N/Nc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C21H18N4O5/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/h2-12,14,22H,13H2,1H3/b23-19-
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6.70E+3n/an/an/an/an/an/an/an/a



University of Pittsburgh

US Patent


Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ...


US Patent US9624235 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92GH
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM318449
PNG
(NSC300598 | US9624235, Compound 7)
Show SMILES C\C(=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/h5-14H,1-4H3,(H,24,26)/b25-17+
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1.09E+4n/an/an/an/an/an/an/an/a



University of Pittsburgh

US Patent


Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ...


US Patent US9624235 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92GH
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM318450
PNG
(NSC89640 | US9624235, Compound 9)
Show SMILES O[NH+](O)c1cc(ccc1NCCCCC(NC(=C)C[N+]([O-])=O)C(O)=O)[N+]([O-])=O
Show InChI InChI=1S/C15H21N5O8/c1-10(9-18(23)24)17-13(15(21)22)4-2-3-7-16-12-6-5-11(19(25)26)8-14(12)20(27)28/h5-6,8,13,16-17,27-28H,1-4,7,9H2,(H,21,22)/p+1
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US Patent
1.30E+4n/an/an/an/an/an/an/an/a



University of Pittsburgh

US Patent


Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ...


US Patent US9624235 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92GH
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM318451
PNG
(NSC107215 | US9624235, Compound 10)
Show SMILES C\C=C\C(=O)NCCCCNC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H21N3O4/c1-2-5-16(21)18-12-3-4-13-19-17(22)11-8-14-6-9-15(10-7-14)20(23)24/h2,5-11H,3-4,12-13H2,1H3,(H,18,21)(H,19,22)/b5-2+,11-8+
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1.70E+4n/an/an/an/an/an/an/an/a



University of Pittsburgh

US Patent


Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ...


US Patent US9624235 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92GH
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM92739
PNG
(NSC375491, 12 | US9624235, Compound 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)


Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM92739
PNG
(NSC375491, 12 | US9624235, Compound 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

US Patent


Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ...


US Patent US9624235 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92GH
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM318455
PNG
(NSC402686 | US9624235, Compound 14)
Show SMILES O=C(\C=C(\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/h1-16,23H/b20-16+
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3.70E+4n/an/an/an/an/an/an/an/a



University of Pittsburgh

US Patent


Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ...


US Patent US9624235 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ92GH
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM50453751
PNG
(CHEMBL4210534)
Show SMILES C1COCCNCc2ccc3ccc(CNCCOCCNCc4ccc5ccc(CN1)cc5c4)cc3c2
Show InChI InChI=1S/C32H40N4O2/c1-5-29-6-2-26-18-31(29)17-25(1)21-33-9-13-37-14-10-35-23-27-3-7-30-8-4-28(20-32(30)19-27)24-36-12-16-38-15-11-34-22-26/h1-8,17-20,33-36H,9-16,21-24H2
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n/an/a 55n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human APE1 assessed as reduction in abasic sites DNA cleavage using 6-FAM/TAMRA labelled 17-Tphi as substrate by fluorescence-based ass...


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM60996
PNG
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)
Show SMILES OC(=O)C1=CC(C=CC1=O)=C(c1ccc(O)c(c1)C(O)=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
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n/an/a 55n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of APE1 (unknown origin)


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM60996
PNG
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)
Show SMILES OC(=O)C1=CC(C=CC1=O)=C(c1ccc(O)c(c1)C(O)=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
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n/an/a 55n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM50453744
PNG
(CHEMBL4205402)
Show SMILES C1CNCc2ccc3ccc(CNCCNCCNCc4ccc5ccc(CNCCN1)cc5c4)cc3c2
Show InChI InChI=1S/C32H42N6/c1-5-29-6-2-26-18-31(29)17-25(1)21-35-13-9-33-10-14-37-23-27-3-7-30-8-4-28(20-32(30)19-27)24-38-16-12-34-11-15-36-22-26/h1-8,17-20,33-38H,9-16,21-24H2
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n/an/a 57n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human APE1 assessed as reduction in abasic sites DNA cleavage using 6-FAM/TAMRA labelled 17-Tphi as substrate by fluorescence-based ass...


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM50066721
PNG
(1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)...)
Show SMILES CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12
Show InChI InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of full length human APE1 expressed in Escherichia coli BL21/DE3 assessed as inhibition of incision of depurinated supercoiled pUC18 plasm...


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1021/jm500865u
BindingDB Entry DOI: 10.7270/Q2XW4MD9
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1124/mol.107.042622
BindingDB Entry DOI: 10.7270/Q2WS8RJX
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM50453740
PNG
(CHEMBL4217125)
Show SMILES Brc1cc(cc(Br)c1Br)-c1cc(Br)c(Br)c(Br)c1
Show InChI InChI=1S/C12H4Br6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H
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n/an/a 200n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of nuclease activity of APE1 in human glioblastoma cells assessed as reduction in AP site DNA cleavage


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human APE1 using double-stranded DNA as substrate preincubated for 15 mins followed by substrate addition measured at 1 min...


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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/a7.5n/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)


Article DOI: 10.1111/cbdd.12826
BindingDB Entry DOI: 10.7270/Q2Q52NGR
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM50029028
PNG
((cibacron blue,para isomer)1-Amino-4-{4-[4-chloro-...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccc(cc4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-5-8-15(9-6-13)49(40,41)42)37-29(36-27)34-18-10-7-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-3-1-2-4-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3
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n/an/a 250n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 280n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1124/mol.107.042622
BindingDB Entry DOI: 10.7270/Q2WS8RJX
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 320n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM114257
PNG
(3,8,9,10-tetrahydroxypyran[3,2-c]isochromene-2,6-q...)
Show SMILES Oc1cc2c(c(O)c1O)c1oc(=O)c(O)cc1oc2=O
Show InChI InChI=1S/C12H6O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,13-16H
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n/an/a 400n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human APE1 using a 5'-TAMRA labelled THF abasic site double-stranded oligodeoxynucleotide as substrate in presence of Mg2+ by fluoresce...


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM50579
PNG
(3,6,7-trimethoxyphenanthrene-2,5-diol | MLS0008635...)
Show SMILES COc1cc2c(ccc3cc(OC)c(OC)c(O)c23)cc1O
Show InChI InChI=1S/C17H16O5/c1-20-13-8-11-9(6-12(13)18)4-5-10-7-14(21-2)17(22-3)16(19)15(10)11/h4-8,18-19H,1-3H3
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n/an/a 400n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human APE1 using a 5'-TAMRA labelled THF abasic site double-stranded oligodeoxynucleotide as substrate in presence of Mg2+ by fluoresce...


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM81347
PNG
(L2037 (beta-lapachone))
Show SMILES CN(N=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C7H8N2O3/c1-9(8-12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3
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n/an/a 500n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM50453747
PNG
(CHEMBL4211672)
Show SMILES CC(C)(C)c1ccc(OC(=O)c2sc3ccccc3c2Cl)c(c1)C(C)(C)C
Show InChI InChI=1S/C23H25ClO2S/c1-22(2,3)14-11-12-17(16(13-14)23(4,5)6)26-21(25)20-19(24)15-9-7-8-10-18(15)27-20/h7-13H,1-6H3
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n/an/a 800n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of nuclease activity of APE1 in human glioblastoma cells assessed as reduction in AP site DNA cleavage


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM50453750
PNG
(CHEMBL4203747)
Show SMILES Cc1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C22H15Cl2FN2S/c1-13-21(27-22(28-13)26-18-11-16(23)10-17(24)12-18)15-8-6-14(7-9-15)19-4-2-3-5-20(19)25/h2-12H,1H3,(H,26,27)
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n/an/a 900n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of nuclease activity of APE1 in human glioblastoma cells assessed as reduction in AP site DNA cleavage


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))
BDBM50241313
PNG
((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...)
Show SMILES CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O
Show InChI InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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)


Article DOI: 10.1021/jm9014857
BindingDB Entry DOI: 10.7270/Q2HD7VR8
More data for this
Ligand-Target Pair
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