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Compile Data Set for Download or QSAR

Found 37 hits of ph data with Target = 'Apurinic-apyrimidinic endonuclease 1 (APE-1)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apurinic-apyrimidinic endonuclease 1 (APE-1)


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



The Johns Hopkins University



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


Mol Pharmacol 73: 669-77 (2008)


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 -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
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM26579
PNG
(3-({[4-(carboxymethyl)phenyl]methyl}sulfanyl)-8-me...)
Show SMILES Cc1ccc2n(C(O)=O)c3nc(SCc4ccc(CC(O)=O)cc4)nnc3c2c1
Show InChI InChI=1S/C20H16N4O4S/c1-11-2-7-15-14(8-11)17-18(24(15)20(27)28)21-19(23-22-17)29-10-13-5-3-12(4-6-13)9-16(25)26/h2-8H,9-10H2,1H3,(H,25,26)(H,27,28)
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Article
PubMed
n/an/a 1.50E+4n/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))
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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PubMed
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))
BDBM26581
PNG
(3-[3-(2-carboxyethyl)-2-sulfanylidene-2,3-dihydro-...)
Show SMILES OC(=O)CCn1c2ccccc2n(CCC(O)=O)c1=S
Show InChI InChI=1S/C13H14N2O4S/c16-11(17)5-7-14-9-3-1-2-4-10(9)15(13(14)20)8-6-12(18)19/h1-4H,5-8H2,(H,16,17)(H,18,19)
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n/an/a 1.50E+4n/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))
BDBM26582
PNG
(2-[3-(carboxymethyl)-2-oxo-2,3-dihydro-1H-1,3-benz...)
Show SMILES OC(=O)Cn1c2ccccc2n(CC(O)=O)c1=O
Show InChI InChI=1S/C11H10N2O5/c14-9(15)5-12-7-3-1-2-4-8(7)13(11(12)18)6-10(16)17/h1-4H,5-6H2,(H,14,15)(H,16,17)
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PubMed
n/an/a 1.60E+4n/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))
BDBM26583
PNG
(4-{[(2-carboxy-2-methylethyl)sulfanyl]methyl}-5-me...)
Show SMILES CC(CSCc1cc(oc1C)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H14O5S/c1-6(10(12)13)4-17-5-8-3-9(11(14)15)16-7(8)2/h3,6H,4-5H2,1-2H3,(H,12,13)(H,14,15)
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n/an/a 2.20E+4n/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))
BDBM26584
PNG
(4-({[(3-carboxy-5-methylfuran-2-yl)methyl]sulfanyl...)
Show SMILES Cc1cc(C(O)=O)c(CSCc2cc(oc2C)C(O)=O)o1
Show InChI InChI=1S/C14H14O6S/c1-7-3-10(13(15)16)12(19-7)6-21-5-9-4-11(14(17)18)20-8(9)2/h3-4H,5-6H2,1-2H3,(H,15,16)(H,17,18)
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n/an/a 2.00E+4n/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))
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
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM26586
PNG
(4-{5-[(3Z)-1-(carboxymethyl)-2-oxo-2,3-dihydro-1H-...)
Show SMILES OC(=O)CCCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C17H14N2O6S2/c20-11(21)6-3-7-18-16(25)14(27-17(18)26)13-9-4-1-2-5-10(9)19(15(13)24)8-12(22)23/h1-2,4-5H,3,6-8H2,(H,20,21)(H,22,23)/b14-13-
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n/an/a 1.20E+4n/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))
BDBM26587
PNG
(2-{[3-(1-carboxyethoxy)-9-oxo-8-oxatricyclo[8.4.0....)
Show SMILES CC(Oc1cc(OC(C)C(O)=O)c2c(c1)oc(=O)c1ccccc21)C(O)=O
Show InChI InChI=1S/C19H16O8/c1-9(17(20)21)25-11-7-14(26-10(2)18(22)23)16-12-5-3-4-6-13(12)19(24)27-15(16)8-11/h3-10H,1-2H3,(H,20,21)(H,22,23)
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n/an/a 8.00E+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))
BDBM26588
PNG
(2-[10-(carboxymethyl)-6,12-dioxo-5,11-dioxatricycl...)
Show SMILES OC(=O)CC1OC(=O)c2cc3C(CC(O)=O)OC(=O)c3cc12
Show InChI InChI=1S/C14H10O8/c15-11(16)3-9-5-1-7-6(2-8(5)14(20)21-9)10(4-12(17)18)22-13(7)19/h1-2,9-10H,3-4H2,(H,15,16)(H,17,18)
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n/an/a 1.10E+4n/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))
BDBM26589
PNG
(3-(2-carboxyethyl)-4-hydroxy-2-methylquinoline-6-c...)
Show SMILES Cc1nc2ccc(cc2c(O)c1CCC(O)=O)C(O)=O
Show InChI InChI=1S/C14H13NO5/c1-7-9(3-5-12(16)17)13(18)10-6-8(14(19)20)2-4-11(10)15-7/h2,4,6H,3,5H2,1H3,(H,15,18)(H,16,17)(H,19,20)
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n/an/a 2.00E+4n/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))
BDBM26590
PNG
(2-({2-[(carboxymethyl)sulfanyl]-6-phenylpyrimidin-...)
Show SMILES OC(=O)CSc1cc(nc(SCC(O)=O)n1)-c1ccccc1
Show InChI InChI=1S/C14H12N2O4S2/c17-12(18)7-21-11-6-10(9-4-2-1-3-5-9)15-14(16-11)22-8-13(19)20/h1-6H,7-8H2,(H,17,18)(H,19,20)
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n/an/a 1.90E+4n/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))
BDBM26591
PNG
(2-({4-[(carboxymethyl)carbamoyl]-2,5-dimethylfuran...)
Show SMILES Cc1oc(C)c(C(=O)NCC(O)=O)c1C(=O)NCC(O)=O
Show InChI InChI=1S/C12H14N2O7/c1-5-9(11(19)13-3-7(15)16)10(6(2)21-5)12(20)14-4-8(17)18/h3-4H2,1-2H3,(H,13,19)(H,14,20)(H,15,16)(H,17,18)
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n/an/a 2.60E+4n/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))
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))
BDBM26593
PNG
(3-(5-{[(5E)-3-(carboxymethyl)-4-oxo-2-sulfanyliden...)
Show SMILES OC(=O)CN1C(=S)S\C(=C\c2ccc(o2)-c2cccc(c2)C(O)=O)C1=O
Show InChI InChI=1S/C17H11NO6S2/c19-14(20)8-18-15(21)13(26-17(18)25)7-11-4-5-12(24-11)9-2-1-3-10(6-9)16(22)23/h1-7H,8H2,(H,19,20)(H,22,23)/b13-7+
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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))
BDBM26594
PNG
(2-(5-{[2-(2-carboxyphenyl)-1,3-dioxo-2,3-dihydro-1...)
Show SMILES OC(=O)c1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1C(O)=O
Show InChI InChI=1S/C31H16N2O9/c34-25(15-9-11-17-21(13-15)28(37)32(26(17)35)23-7-3-1-5-19(23)30(39)40)16-10-12-18-22(14-16)29(38)33(27(18)36)24-8-4-2-6-20(24)31(41)42/h1-14H,(H,39,40)(H,41,42)
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n/an/a 8.00E+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))
BDBM26596
PNG
(3-[(6-amino-9H-purin-8-yl)sulfanyl]propanoic acid ...)
Show SMILES Nc1ncnc2nc(SCCC(O)=O)[nH]c12
Show InChI InChI=1S/C8H9N5O2S/c9-6-5-7(11-3-10-6)13-8(12-5)16-2-1-4(14)15/h3H,1-2H2,(H,14,15)(H3,9,10,11,12,13)
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n/an/a 2.00E+4n/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))
BDBM26597
PNG
(3-[1-(carboxymethyl)-5-(4-methylphenyl)-1H-pyrrol-...)
Show SMILES Cc1ccc(cc1)-c1ccc(CCC(O)=O)n1CC(O)=O
Show InChI InChI=1S/C16H17NO4/c1-11-2-4-12(5-3-11)14-8-6-13(7-9-15(18)19)17(14)10-16(20)21/h2-6,8H,7,9-10H2,1H3,(H,18,19)(H,20,21)
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n/an/a 1.20E+4n/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))
BDBM26598
PNG
(3-[1-(carboxymethyl)-5-(4-fluorophenyl)-1H-pyrrol-...)
Show SMILES OC(=O)CCc1ccc(-c2ccc(F)cc2)n1CC(O)=O
Show InChI InChI=1S/C15H14FNO4/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 9.00E+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))
BDBM26599
PNG
(4-({4-[(4-carboxybenzene)sulfonyl]phenyl}sulfanyl)...)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(Sc2ccc(C(O)=O)c(c2)C(O)=O)cc1
Show InChI InChI=1S/C21H14O8S2/c22-19(23)12-1-6-15(7-2-12)31(28,29)16-8-3-13(4-9-16)30-14-5-10-17(20(24)25)18(11-14)21(26)27/h1-11H,(H,22,23)(H,24,25)(H,26,27)
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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))
BDBM26600
PNG
(4-{[4-(4-carboxyphenoxy)benzene]sulfonyl}benzene-1...)
Show SMILES OC(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)c2ccc(C(O)=O)c(c2)C(O)=O)cc1
Show InChI InChI=1S/C21H14O9S/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 1.00E+4n/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))
BDBM26611
PNG
((hydrazinecarbonyl)-N-(pyrimidin-2-yl)methanesulfo...)
Show SMILES NNC(=O)CS(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C6H9N5O3S/c7-10-5(12)4-15(13,14)11-6-8-2-1-3-9-6/h1-3H,4,7H2,(H,10,12)(H,8,9,11)
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n/an/an/an/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))
BDBM26612
PNG
(2,3-dinitro-9H-fluoren-9-one | Compound 133896)
Show SMILES O=C1c2ccccc2-c2cc(c(cc12)N(=O)=O)N(=O)=O
Show InChI InChI=1S/C13H6N2O5/c16-13-8-4-2-1-3-7(8)9-5-11(14(17)18)12(15(19)20)6-10(9)13/h1-6H
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n/an/an/an/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))
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))
BDBM26614
PNG
(2-[(4-hydroxy-3-methylphenyl)[(1Z)-3-methyl-4-oxoc...)
Show SMILES CC1=C\C(C=CC1=O)=C(\c1ccc(O)c(C)c1)c1ccccc1C(O)=O
Show InChI InChI=1S/C22H18O4/c1-13-11-15(7-9-19(13)23)21(16-8-10-20(24)14(2)12-16)17-5-3-4-6-18(17)22(25)26/h3-12,23H,1-2H3,(H,25,26)/b21-16-
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n/an/an/an/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))
BDBM26615
PNG
(8-(8-carboxynaphthalen-1-yl)naphthalene-1-carboxyl...)
Show SMILES OC(=O)c1cccc2cccc(-c3cccc4cccc(C(O)=O)c34)c12
Show InChI InChI=1S/C22H14O4/c23-21(24)17-11-3-7-13-5-1-9-15(19(13)17)16-10-2-6-14-8-4-12-18(20(14)16)22(25)26/h1-12H,(H,23,24)(H,25,26)
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n/an/an/an/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))
BDBM26616
PNG
(2-aminobenzene-1,3,5-trisulfonamide | Compound 258...)
Show SMILES Nc1c(cc(cc1S(N)(=O)=O)S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H10N4O6S3/c7-6-4(18(9,13)14)1-3(17(8,11)12)2-5(6)19(10,15)16/h1-2H,7H2,(H2,8,11,12)(H2,9,13,14)(H2,10,15,16)
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n/an/an/an/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))
BDBM26617
PNG
(4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)
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n/an/an/an/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))
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))
BDBM26619
PNG
(2,2,2,5-tetrahydroxy-1,3,2-dioxastibinane-4,6-dica...)
Show SMILES OC1C(O[Sb](O)(O)(O)OC1C(O)=O)C(O)=O
Show InChI InChI=1S/C5H6O7.3H2O.Sb/c6-1(2(7)4(9)10)3(8)5(11)12;;;;/h1-3,6H,(H,9,10)(H,11,12);3*1H2;/q-2;;;;+5/p-3
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n/an/an/an/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))
BDBM26620
PNG
(4-amino-5-{[(4-methylbenzene)sulfonyl]oxy}naphthal...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Oc1cc(cc2cc(cc(N)c12)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C17H15NO9S3/c1-10-2-4-12(5-3-10)30(25,26)27-16-9-14(29(22,23)24)7-11-6-13(28(19,20)21)8-15(18)17(11)16/h2-9H,18H2,1H3,(H,19,20,21)(H,22,23,24)
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n/an/an/an/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))
BDBM26578
PNG
(3-({5-[(2-carboxyethyl)sulfanyl]-1,3,4-thiadiazol-...)
Show SMILES OC(=O)CCSc1nnc(SCCC(O)=O)s1
Show InChI InChI=1S/C8H10N2O4S3/c11-5(12)1-3-15-7-9-10-8(17-7)16-4-2-6(13)14/h1-4H2,(H,11,12)(H,13,14)
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n/an/a 1.70E+4n/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))
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))
BDBM26577
PNG
(3-[1-(carboxymethyl)-5-(thiophen-2-yl)-1H-pyrrol-2...)
Show SMILES OC(=O)CCc1ccc(-c2cccs2)n1CC(O)=O
Show InChI InChI=1S/C13H13NO4S/c15-12(16)6-4-9-3-5-10(11-2-1-7-19-11)14(9)8-13(17)18/h1-3,5,7H,4,6,8H2,(H,15,16)(H,17,18)
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n/an/a 9.00E+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