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Compile Data Set for Download or QSAR

Found 201 hits of ic50 data for polymerid = 5275   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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 -10.4 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
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 -10.0 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
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)


Article DOI: 10.1021/jm500865u
BindingDB Entry DOI: 10.7270/Q2XW4MD9
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)


Article DOI: 10.1124/mol.107.042622
BindingDB Entry DOI: 10.7270/Q2WS8RJX
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/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
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)


Article DOI: 10.1124/mol.107.042622
BindingDB Entry DOI: 10.7270/Q2WS8RJX
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)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
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)


Article DOI: 10.1021/jm9014857
BindingDB Entry DOI: 10.7270/Q2HD7VR8
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)


Article DOI: 10.1021/jm9014857
BindingDB Entry DOI: 10.7270/Q2HD7VR8
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)


Article DOI: 10.1021/jm9014857
BindingDB Entry DOI: 10.7270/Q2HD7VR8
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)


Article DOI: 10.1021/jm9014857
BindingDB Entry DOI: 10.7270/Q2HD7VR8
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)


Article DOI: 10.1021/jm9014857
BindingDB Entry DOI: 10.7270/Q2HD7VR8
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)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
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)


Article DOI: 10.1021/jm9014857
BindingDB Entry DOI: 10.7270/Q2HD7VR8
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)


Article DOI: 10.1021/jm9014857
BindingDB Entry DOI: 10.7270/Q2HD7VR8
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)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
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)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(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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US Patent
n/an/a 2.90E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

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)

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)


Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B
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)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
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)


Article DOI: 10.1021/jm800739m
BindingDB Entry DOI: 10.7270/Q21J9822
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)


Article DOI: 10.1021/jm9014857
BindingDB Entry DOI: 10.7270/Q2HD7VR8
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)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
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)


Article DOI: 10.1021/jm9014857
BindingDB Entry DOI: 10.7270/Q2HD7VR8
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)


Article DOI: 10.1021/jm9014857
BindingDB Entry DOI: 10.7270/Q2HD7VR8
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)


Article DOI: 10.1021/jm9014857
BindingDB Entry DOI: 10.7270/Q2HD7VR8
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)


Article DOI: 10.1021/jm500865u
BindingDB Entry DOI: 10.7270/Q2XW4MD9
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)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
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)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
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)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
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)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
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)


Article DOI: 10.1021/jm800739m
BindingDB Entry DOI: 10.7270/Q21J9822
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)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
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)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
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)


Article DOI: 10.1021/jm800739m
BindingDB Entry DOI: 10.7270/Q21J9822
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)


Article DOI: 10.1021/jm800739m
BindingDB Entry DOI: 10.7270/Q21J9822
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)


Article DOI: 10.1021/jm9014857
BindingDB Entry DOI: 10.7270/Q2HD7VR8
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)


Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B
More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(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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US Patent
n/an/a 4.10E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

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)

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)


Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B
More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(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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US Patent
n/an/a 4.40E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

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)

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


(Homo sapiens (Human))
BDBM50303974
PNG
(3-(3-Bromo-1,4-naphthoquinon-2-yl)-propionic Acid ...)
Show SMILES OC(=O)C=Cc1c(O)c2ccccc2c(O)c1Br
Show InChI InChI=1S/C13H9BrO4/c14-11-9(5-6-10(15)16)12(17)7-3-1-2-4-8(7)13(11)18/h1-6,17-18H,(H,15,16)
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n/an/a 5.00E+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
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50030282
PNG
(CHEBI:51052 | LUCANTHONE | Lucanthone)
Show SMILES CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12
Show InChI InChI=1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3
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n/an/a 5.00E+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)


Article DOI: 10.1021/jm500865u
BindingDB Entry DOI: 10.7270/Q2XW4MD9
More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM26606
PNG
(5-{[(2-{[(4-carboxy-5-methylfuran-2-yl)methyl]sulf...)
Show SMILES Cc1oc(CSCCSCc2cc(C(O)=O)c(C)o2)cc1C(O)=O
Show InChI InChI=1S/C16H18O6S2/c1-9-13(15(17)18)5-11(21-9)7-23-3-4-24-8-12-6-14(16(19)20)10(2)22-12/h5-6H,3-4,7-8H2,1-2H3,(H,17,18)(H,19,20)
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n/an/a 5.00E+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)


Article DOI: 10.1021/jm800739m
BindingDB Entry DOI: 10.7270/Q21J9822
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 5.00E+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
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 5.00E+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
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50388250
PNG
(CHEMBL2057941)
Show SMILES CC(C)N1CCc2c(C1)sc(NC(=O)C(F)F)c2-c1nc2ccccc2s1
Show InChI InChI=1S/C19H19F2N3OS2/c1-10(2)24-8-7-11-14(9-24)27-19(23-17(25)16(20)21)15(11)18-22-12-5-3-4-6-13(12)26-18/h3-6,10,16H,7-9H2,1-2H3,(H,23,25)
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n/an/a 5.30E+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)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM26592
PNG
(4-(2-carboxyphenoxymethyl)-2,5-dimethylfuran-3-car...)
Show SMILES Cc1oc(C)c(C(O)=O)c1COc1ccccc1C(O)=O
Show InChI InChI=1S/C15H14O6/c1-8-11(13(15(18)19)9(2)21-8)7-20-12-6-4-3-5-10(12)14(16)17/h3-6H,7H2,1-2H3,(H,16,17)(H,18,19)
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n/an/a 6.00E+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)


Article DOI: 10.1021/jm800739m
BindingDB Entry DOI: 10.7270/Q21J9822
More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50388244
PNG
(CHEMBL2057935)
Show SMILES O=C(Nc1sc2CNCCc2c1-c1nc2ccccc2s1)C1CC1
Show InChI InChI=1S/C18H17N3OS2/c22-16(10-5-6-10)21-18-15(11-7-8-19-9-14(11)24-18)17-20-12-3-1-2-4-13(12)23-17/h1-4,10,19H,5-9H2,(H,21,22)
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n/an/a 6.00E+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)


Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941
More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM26585
PNG
(3-{5-[(3Z)-1-(carboxymethyl)-2-oxo-2,3-dihydro-1H-...)
Show SMILES OC(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C16H12N2O6S2/c19-10(20)5-6-17-15(24)13(26-16(17)25)12-8-3-1-2-4-9(8)18(14(12)23)7-11(21)22/h1-4H,5-7H2,(H,19,20)(H,21,22)/b13-12-
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n/an/a 6.00E+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)


Article DOI: 10.1021/jm800739m
BindingDB Entry DOI: 10.7270/Q21J9822
More data for this
Ligand-Target Pair
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