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PubMed code 19072053

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
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))
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))
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))
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))
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))
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))
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))
BDBM26607
PNG
(5-({[(4-carboxy-5-methylfuran-2-yl)methyl]sulfanyl...)
Show SMILES Cc1cc(CSCc2cc(C(O)=O)c(C)o2)oc1C(O)=O
Show InChI InChI=1S/C14H14O6S/c1-7-3-9(20-12(7)14(17)18)5-21-6-10-4-11(13(15)16)8(2)19-10/h3-4H,5-6H2,1-2H3,(H,15,16)(H,17,18)
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n/an/a 6.00E+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))
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))
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))
BDBM26604
PNG
(2-{3-[(5Z)-3-(4-bromophenyl)-4-oxo-2-sulfanylidene...)
Show SMILES OC(=O)CN1C(=O)\C(=C2/SC(=S)N(C2=O)c2ccc(Br)cc2)c2ccccc12
Show InChI InChI=1S/C19H11BrN2O4S2/c20-10-5-7-11(8-6-10)22-18(26)16(28-19(22)27)15-12-3-1-2-4-13(12)21(17(15)25)9-14(23)24/h1-8H,9H2,(H,23,24)/b16-15-
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n/an/a 6.00E+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))
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))
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))
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))
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))
BDBM26605
PNG
(2-{2-oxo-3-[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazol...)
Show SMILES OC(=O)CN1C(=O)\C(=C2/SC(=S)NC2=O)c2ccccc12
Show InChI InChI=1S/C13H8N2O4S2/c16-8(17)5-15-7-4-2-1-3-6(7)9(12(15)19)10-11(18)14-13(20)21-10/h1-4H,5H2,(H,16,17)(H,14,18,20)/b10-9-
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n/an/a 9.00E+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))
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
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))
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))
BDBM26603
PNG
(2-{3-[(5Z)-3-[(2-hydroxybenzene)amido]-4-oxo-2-sul...)
Show SMILES OC(=O)CN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc12
Show InChI InChI=1S/C20H13N3O6S2/c24-13-8-4-2-6-11(13)17(27)21-23-19(29)16(31-20(23)30)15-10-5-1-3-7-12(10)22(18(15)28)9-14(25)26/h1-8,24H,9H2,(H,21,27)(H,25,26)/b16-15-
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n/an/a 1.10E+4n/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))
BDBM26608
PNG
(3-(3,4-dimethylphenoxymethyl)furan-2-carboxylic ac...)
Show SMILES Cc1ccc(OCc2ccoc2C(O)=O)cc1C
Show InChI InChI=1S/C14H14O4/c1-9-3-4-12(7-10(9)2)18-8-11-5-6-17-13(11)14(15)16/h3-7H,8H2,1-2H3,(H,15,16)
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n/an/a 1.10E+4n/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))
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))
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))
BDBM26601
PNG
(2-{3-[(5Z)-3-(carboxymethyl)-4-oxo-2-sulfanylidene...)
Show SMILES OC(=O)CN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C15H10N2O6S2/c18-9(19)5-16-8-4-2-1-3-7(8)11(13(16)22)12-14(23)17(6-10(20)21)15(24)25-12/h1-4H,5-6H2,(H,18,19)(H,20,21)/b12-11-
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n/an/a 1.30E+4n/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))
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))
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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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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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))
BDBM26610
PNG
(2-methyl-5-{[(oxolan-2-ylmethyl)sulfanyl]methyl}fu...)
Show SMILES Cc1oc(CSCC2CCCO2)cc1C(O)=O
Show InChI InChI=1S/C12H16O4S/c1-8-11(12(13)14)5-10(16-8)7-17-6-9-3-2-4-15-9/h5,9H,2-4,6-7H2,1H3,(H,13,14)
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n/an/a 1.60E+4n/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))
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))
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))
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))
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))
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))
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))
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))
BDBM26609
PNG
(3-[(pyridin-2-ylsulfanyl)methyl]-1-benzofuran-2-ca...)
Show SMILES OC(=O)c1oc2ccccc2c1CSc1ccccn1
Show InChI InChI=1S/C15H11NO3S/c17-15(18)14-11(9-20-13-7-3-4-8-16-13)10-5-1-2-6-12(10)19-14/h1-8H,9H2,(H,17,18)
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n/an/a 2.70E+4n/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
* indicates data uncertainty>20%