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Compile Data Set for Download or QSAR

Found 333 hits Enz. Inhib. hit(s) 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
DNA-(apurinic or apyrimidinic site) endonuclease


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



The Johns Hopkins University



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

Mol Pharmacol 73: 669-77 (2008)


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


(Homo sapiens (Human))		BDBM26622
PNG
(Compound 13793 | ethyl 4-{4-[dihydroxy(oxo)--stiba...)
Show SMILES CCOC(=O)CCCc1ccc(cc1)[Sb](O)(O)=O
Show InChI InChI=1S/C12H15O2.2H2O.O.Sb/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11;;;;/h4-5,7-8H,2,6,9-10H2,1H3;2*1H2;;/q;;;;+2/p-2
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 36 -42.1 17n/an/an/an/a7.522



The Johns Hopkins University



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

Mol Pharmacol 73: 669-77 (2008)


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


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



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


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



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of APE1 (unknown origin)

Bioorg Med Chem 25: 2531-2544 (2017)


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


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



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


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



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


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



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


(Homo sapiens (Human))		BDBM50436204
PNG
(CHEMBL109037)
Show SMILES NC(Cc1cc(O)c(O)cc1O)C(O)=O
Show InChI InChI=1S/C9H11NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,11-13H,1,10H2,(H,14,15)
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n/an/a 110n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of human APE1 after 25 mins by fluorescence assay

J Med Chem 57: 10241-56 (2014)


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


(Homo sapiens (Human))		BDBM50436204
PNG
(CHEMBL109037)
Show SMILES NC(Cc1cc(O)c(O)cc1O)C(O)=O
Show InChI InChI=1S/C9H11NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,11-13H,1,10H2,(H,14,15)
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n/an/a 110n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


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



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


(Homo sapiens (Human))		BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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n/an/a 200n/an/an/an/a7.522



The Johns Hopkins University



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

Mol Pharmacol 73: 669-77 (2008)


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


(Homo sapiens (Human))		BDBM203861
PNG
((5-(acetylamino)-2-[2-(4-isothiocyanato-3-sulfophe...)
Show SMILES CC(=O)Nc1ccc(\C=C\c2ccc(N=C=S)c(c2)S([O-])(=O)=O)c(c1)S([O-])(=O)=O
Show InChI InChI=1S/C17H14N2O7S3/c1-11(20)19-14-6-5-13(16(9-14)28(21,22)23)4-2-12-3-7-15(18-10-27)17(8-12)29(24,25)26/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)/p-2/b4-2+
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n/an/a 250n/an/an/an/a7.5n/a



Universidade de Lisboa



Assay Description
In this assay, the complementary single-stranded oligonucleotides at 100 μm were mixed at a 1:1 ratio and annealed in assay buffer (50 mm Tris pH ...

Chem Biol Drug Des 88: 915-925 (2016)


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


(Homo sapiens (Human))		BDBM203861
PNG
((5-(acetylamino)-2-[2-(4-isothiocyanato-3-sulfophe...)
Show SMILES CC(=O)Nc1ccc(\C=C\c2ccc(N=C=S)c(c2)S([O-])(=O)=O)c(c1)S([O-])(=O)=O
Show InChI InChI=1S/C17H14N2O7S3/c1-11(20)19-14-6-5-13(16(9-14)28(21,22)23)4-2-12-3-7-15(18-10-27)17(8-12)29(24,25)26/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)/p-2/b4-2+
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n/an/a 250n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


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



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


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



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


(Homo sapiens (Human))		BDBM26618
PNG
(Compound 15596 | N-{4-[dihydroxy(oxo)--stibanyl]ph...)
Show SMILES O[Sb](O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C13H10NO.2H2O.O.Sb/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12;;;;/h1,3-10H,(H,14,15);2*1H2;;/q;;;;+2/p-2
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n/an/a 300n/an/an/an/a7.522



The Johns Hopkins University



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

Mol Pharmacol 73: 669-77 (2008)


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


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



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


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



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


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



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


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



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


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



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


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



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


(Homo sapiens (Human))		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 |c:2|
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
DNA-(apurinic or apyrimidinic site) endonuclease


(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 |c:2|
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
DNA-(apurinic or apyrimidinic site) endonuclease


(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 |c:3|
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
DNA-(apurinic or apyrimidinic site) endonuclease


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



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


(Homo sapiens (Human))		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 |c:3|
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
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))		BDBM114652
PNG
(CHEMBL1706858 | MLS003178551 | N-[3-(1,3-benzothia...)
Show SMILES CC(=O)Nc1sc2CNCc2c1-c1nc2ccccc2s1
Show InChI InChI=1S/C15H13N3OS2/c1-8(19)17-14-13(9-6-16-7-12(9)21-14)15-18-10-4-2-3-5-11(10)20-15/h2-5,16H,6-7H2,1H3,(H,17,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant APE1 using [35P]-5'-AP-DNA as substrate incubated for 15 mins prior to substrate addition measured after 5 mins by PAGE ana...

J Med Chem 55: 3101-12 (2012)


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


(Homo sapiens (Human))		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 |c:6|
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
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))		BDBM50530042
PNG
(CHEMBL4517868)
Show SMILES C[C@H]1\C=C\CC(=O)OCCC(c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2|
Show InChI InChI=1S/C39H40N4O6S/c1-26-17-19-30(20-18-26)50(47,48)43-22-9-15-35(43)37-27(2)10-8-16-36(44)49-23-21-32(28-11-4-3-5-12-28)38(45)41-34(39(46)42-37)24-29-25-40-33-14-7-6-13-31(29)33/h3-15,17-20,22,25,27,32,34,37,40H,16,21,23-24H2,1-2H3,(H,41,45)(H,42,46)/b10-8+/t27-,32?,34-,37+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw...

J Med Chem 62: 1971-1988 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))		BDBM50530042
PNG
(CHEMBL4517868)
Show SMILES C[C@H]1\C=C\CC(=O)OCCC(c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2|
Show InChI InChI=1S/C39H40N4O6S/c1-26-17-19-30(20-18-26)50(47,48)43-22-9-15-35(43)37-27(2)10-8-16-36(44)49-23-21-32(28-11-4-3-5-12-28)38(45)41-34(39(46)42-37)24-29-25-40-33-14-7-6-13-31(29)33/h3-15,17-20,22,25,27,32,34,37,40H,16,21,23-24H2,1-2H3,(H,41,45)(H,42,46)/b10-8+/t27-,32?,34-,37+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw...

J Med Chem 62: 1971-1988 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))		BDBM50453738
PNG
(CHEMBL4212274)
Show SMILES Cc1sc(nc1-c1ccc(cc1)-c1ccccc1F)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H15ClFNS/c1-14-21(25-22(26-14)17-10-12-18(23)13-11-17)16-8-6-15(7-9-16)19-4-2-3-5-20(19)24/h2-13H,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


(Homo sapiens (Human))		BDBM50530037
PNG
(CHEMBL4473257)
Show SMILES C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(F)(F)F |r,t:2|
Show InChI InChI=1S/C39H38F3N5O5S/c1-24-12-18-29(19-13-24)53(51,52)47-20-6-10-34(47)37-25(2)7-5-11-35(48)44-32(26-14-16-28(17-15-26)39(40,41)42)22-36(49)45-33(38(50)46-37)21-27-23-43-31-9-4-3-8-30(27)31/h3-10,12-20,23,25,32-33,37,43H,11,21-22H2,1-2H3,(H,44,48)(H,45,49)(H,46,50)/b7-5+/t25-,32-,33-,37+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw...

J Med Chem 62: 1971-1988 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))		BDBM50530037
PNG
(CHEMBL4473257)
Show SMILES C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(F)(F)F |r,t:2|
Show InChI InChI=1S/C39H38F3N5O5S/c1-24-12-18-29(19-13-24)53(51,52)47-20-6-10-34(47)37-25(2)7-5-11-35(48)44-32(26-14-16-28(17-15-26)39(40,41)42)22-36(49)45-33(38(50)46-37)21-27-23-43-31-9-4-3-8-30(27)31/h3-10,12-20,23,25,32-33,37,43H,11,21-22H2,1-2H3,(H,44,48)(H,45,49)(H,46,50)/b7-5+/t25-,32-,33-,37+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw...

J Med Chem 62: 1971-1988 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(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/a 1.40E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human APE1 measured every 5 mins for 60 mins by FAM fluorophore based fluorescence assay

Bioorg Med Chem 25: 2531-2544 (2017)


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


(Homo sapiens (Human))		BDBM58109
PNG
((3-chloranyl-1-benzothiophen-2-yl)-[2-(2-chlorophe...)
Show SMILES Clc1c(sc2ccccc12)C(=O)N1\C(SC(=C)C11CCCCC1)=N\c1ccccc1Cl
Show InChI InChI=1S/C24H20Cl2N2OS2/c1-15-24(13-7-2-8-14-24)28(23(30-15)27-18-11-5-4-10-17(18)25)22(29)21-20(26)16-9-3-6-12-19(16)31-21/h3-6,9-12H,1-2,7-8,13-14H2/b27-23-
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n/an/a 1.40E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


(Homo sapiens (Human))		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
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))		BDBM50431702
PNG
(CHEMBL2349528)
Show SMILES Clc1cccc(NC(=O)c2noc3CCCc23)c1
Show InChI InChI=1S/C13H11ClN2O2/c14-8-3-1-4-9(7-8)15-13(17)12-10-5-2-6-11(10)18-16-12/h1,3-4,7H,2,5-6H2,(H,15,17)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human APE1 expressed in Escherichia coli BL21 (Rosetta) using fluorescein-dabcyl-containing oligonucleotide ...

Bioorg Med Chem 25: 2531-2544 (2017)


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


(Homo sapiens (Human))		BDBM222128
PNG
(7-Chloro-2-(2-fluorophenyl)-4H-3,1-benzoxazin-4-on...)
Show SMILES Fc1ccccc1-c1nc2cc(Cl)ccc2c(=O)o1
Show InChI InChI=1S/C14H7ClFNO2/c15-8-5-6-10-12(7-8)17-13(19-14(10)18)9-3-1-2-4-11(9)16/h1-7H
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n/an/a 1.60E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


(Homo sapiens (Human))		BDBM42119
PNG
(2-[4-(2,5-dimethyl-1-pyrrolyl)phenoxy]acetic acid ...)
Show SMILES Cc1ccc(C)n1-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C14H15NO3/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human APE1 expressed in Escherichia coli BL21 (Rosetta) using fluorescein-dabcyl-containing oligonucleotide ...

Bioorg Med Chem 25: 2531-2544 (2017)


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


(Homo sapiens (Human))		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 |c:4,t:1|
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/a 1.70E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human APE1 measured every 5 mins for 60 mins by FAM fluorophore based fluorescence assay

Bioorg Med Chem 25: 2531-2544 (2017)


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


(Homo sapiens (Human))		BDBM50453737
PNG
(CHEMBL4207457)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)-c1ccc(Oc2c(Cl)cccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C28H24ClNO6S/c1-28(2,3)21-11-17-24(18-12-21)37(33,34)36-23-15-9-20(10-16-23)19-7-13-22(14-8-19)35-27-25(29)5-4-6-26(27)30(31)32/h4-18H,1-3H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


(Homo sapiens (Human))		BDBM50453735
PNG
(CHEMBL4210283)
Show SMILES [H][C@]12[C@@H](CCC(O)=O)N[C@@]3(C(=O)Nc4c3cccc4Cl)[C@@]1([H])C(=O)N(Cc1ccc3OCOc3c1)C2=O |r|
Show InChI InChI=1S/C24H20ClN3O7/c25-13-3-1-2-12-20(13)26-23(33)24(12)19-18(14(27-24)5-7-17(29)30)21(31)28(22(19)32)9-11-4-6-15-16(8-11)35-10-34-15/h1-4,6,8,14,18-19,27H,5,7,9-10H2,(H,26,33)(H,29,30)/t14-,18+,19-,24-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human APE1 using a 5'-FAM/3'-Dabsyl labelled double-stranded DNA as substrate after 30 mins by fluorescence-based assay

Bioorg Med Chem 25: 2531-2544 (2017)


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


(Homo sapiens (Human))		BDBM50530043
PNG
(CHEMBL4458126)
Show SMILES C[C@H]1\C=C\CC(=O)OCCC(Oc2ccc3OCOc3c2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccccc1 |r,t:2|
Show InChI InChI=1S/C35H35N3O7/c1-22-8-7-13-32(39)42-17-16-30(45-25-14-15-29-31(19-25)44-21-43-29)35(41)37-28(18-24-20-36-27-12-6-5-11-26(24)27)34(40)38-33(22)23-9-3-2-4-10-23/h2-12,14-15,19-20,22,28,30,33,36H,13,16-18,21H2,1H3,(H,37,41)(H,38,40)/b8-7+/t22-,28-,30?,33+/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw...

J Med Chem 62: 1971-1988 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))		BDBM50530043
PNG
(CHEMBL4458126)
Show SMILES C[C@H]1\C=C\CC(=O)OCCC(Oc2ccc3OCOc3c2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccccc1 |r,t:2|
Show InChI InChI=1S/C35H35N3O7/c1-22-8-7-13-32(39)42-17-16-30(45-25-14-15-29-31(19-25)44-21-43-29)35(41)37-28(18-24-20-36-27-12-6-5-11-26(24)27)34(40)38-33(22)23-9-3-2-4-10-23/h2-12,14-15,19-20,22,28,30,33,36H,13,16-18,21H2,1H3,(H,37,41)(H,38,40)/b8-7+/t22-,28-,30?,33+/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw...

J Med Chem 62: 1971-1988 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))		BDBM50453739
PNG
(CHEMBL4207384)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)Oc1ccc(cc1)-c1ccc(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C24H14Cl4O6S2/c25-21-11-9-19(13-23(21)27)35(29,30)33-17-5-1-15(2-6-17)16-3-7-18(8-4-16)34-36(31,32)20-10-12-22(26)24(28)14-20/h1-14H
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n/an/a 1.80E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


(Homo sapiens (Human))		BDBM50530040
PNG
(CHEMBL4581229)
Show SMILES C[C@H]1\C=C\CC(=O)N[C@H](Cc2ccc(Cl)cc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2|
Show InChI InChI=1S/C39H40ClN5O5S/c1-25-12-18-31(19-13-25)51(49,50)45-20-6-10-35(45)38-26(2)7-5-11-36(46)42-30(21-27-14-16-29(40)17-15-27)23-37(47)43-34(39(48)44-38)22-28-24-41-33-9-4-3-8-32(28)33/h3-10,12-20,24,26,30,34,38,41H,11,21-23H2,1-2H3,(H,42,46)(H,43,47)(H,44,48)/b7-5+/t26-,30+,34-,38+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw...

J Med Chem 62: 1971-1988 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))		BDBM50530040
PNG
(CHEMBL4581229)
Show SMILES C[C@H]1\C=C\CC(=O)N[C@H](Cc2ccc(Cl)cc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2|
Show InChI InChI=1S/C39H40ClN5O5S/c1-25-12-18-31(19-13-25)51(49,50)45-20-6-10-35(45)38-26(2)7-5-11-36(46)42-30(21-27-14-16-29(40)17-15-27)23-37(47)43-34(39(48)44-38)22-28-24-41-33-9-4-3-8-32(28)33/h3-10,12-20,24,26,30,34,38,41H,11,21-23H2,1-2H3,(H,42,46)(H,43,47)(H,44,48)/b7-5+/t26-,30+,34-,38+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Boston University

Curated by ChEMBL


Assay Description
Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw...

J Med Chem 62: 1971-1988 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01529
BindingDB Entry DOI: 10.7270/Q2G73J6T
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Homo sapiens (Human))		BDBM67690
PNG
(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Show SMILES OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
Show InChI InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


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


(Homo sapiens (Human))		BDBM50453736
PNG
(CHEMBL4213457)
Show SMILES [O-][N+](=O)c1ccc2nc(oc(=O)c2c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H6Cl2N2O4/c15-7-1-3-9(11(16)5-7)13-17-12-4-2-8(18(20)21)6-10(12)14(19)22-13/h1-6H
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n/an/a 2.00E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


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

Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
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