Found 333 hits of affinity data for UniProtKB/TrEMBL: P27695 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM26621
(4-[dihydroxy(oxo)--stibanyl]-2-nitrobenzoic acid |...)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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 19 | -43.6 | 4 | n/a | n/a | n/a | n/a | 7.5 | 22 |
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
(Compound 13793 | ethyl 4-{4-[dihydroxy(oxo)--stiba...)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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 36 | -42.1 | 17 | n/a | n/a | n/a | n/a | 7.5 | 22 |
The Johns Hopkins University
| Assay Description
The screening assay was performed using 384-well microtiter plate first spotted with test compounds. Then Ape1 in reaction buffer was added to each w... |
Mol Pharmacol 73: 669-77 (2008)
Article DOI: 10.1124/mol.107.042622
BindingDB Entry DOI: 10.7270/Q2WS8RJX |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92732
(NSC332395, 4)Show SMILES CCn1c2ccccc2c2cc(CN=Nc3cc(C)nc4cc5OCOc5cc34)ccc12 Show InChI InChI=1S/C26H22N4O2/c1-3-30-23-7-5-4-6-18(23)19-11-17(8-9-24(19)30)14-27-29-22-10-16(2)28-21-13-26-25(12-20(21)22)31-15-32-26/h4-13H,3,14-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM318446
(NSC332395 | US9624235, Compound 4)Show SMILES CCn1c2ccccc2c2cc(\C=N\Nc3cc(C)nc4cc5OCOc5cc34)ccc12 Show InChI InChI=1S/C26H22N4O2/c1-3-30-23-7-5-4-6-18(23)19-11-17(8-9-24(19)30)14-27-29-22-10-16(2)28-21-13-26-25(12-20(21)22)31-15-32-26/h4-14H,3,15H2,1-2H3,(H,28,29)/b27-14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| US Patent
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
US Patent
| Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ... |
US Patent US9624235 (2017)
BindingDB Entry DOI: 10.7270/Q2SQ92GH |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM318443
(NSC332398 | US9624235, Compound 1)Show SMILES C\C(=N/Nc1cc(C)nc2cc3OCOc3cc12)c1cn(C)n(-c2ccccc2)c1=O Show InChI InChI=1S/C23H21N5O3/c1-14-9-20(17-10-21-22(31-13-30-21)11-19(17)24-14)26-25-15(2)18-12-27(3)28(23(18)29)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,24,26)/b25-15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| US Patent
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
US Patent
| Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ... |
US Patent US9624235 (2017)
BindingDB Entry DOI: 10.7270/Q2SQ92GH |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92729
(NSC332398, 1)Show SMILES CC(N=Nc1cc(C)nc2cc3OCOc3cc12)c1cn(C)n(-c2ccccc2)c1=O Show InChI InChI=1S/C23H21N5O3/c1-14-9-20(17-10-21-22(31-13-30-21)11-19(17)24-14)26-25-15(2)18-12-27(3)28(23(18)29)16-7-5-4-6-8-16/h4-12,15H,13H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92731
(NSC332389, 3)Show InChI InChI=1S/C19H15N3O4/c1-11-4-15(13-6-18-19(26-10-25-18)7-14(13)21-11)22-20-8-12-2-3-16-17(5-12)24-9-23-16/h2-7H,8-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM318445
(NSC332389 | US9624235, Compound 3)Show InChI InChI=1S/C19H15N3O4/c1-11-4-15(13-6-18-19(26-10-25-18)7-14(13)21-11)22-20-8-12-2-3-16-17(5-12)24-9-23-16/h2-8H,9-10H2,1H3,(H,21,22)/b20-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| US Patent
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
US Patent
| Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ... |
US Patent US9624235 (2017)
BindingDB Entry DOI: 10.7270/Q2SQ92GH |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM318444
(NSC332384 | US9624235, Compound 2)Show InChI InChI=1S/C19H17N3O3/c1-12-6-17(22-20-10-13-4-3-5-14(7-13)23-2)15-8-18-19(25-11-24-18)9-16(15)21-12/h3-10H,11H2,1-2H3,(H,21,22)/b20-10+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| US Patent
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
US Patent
| Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ... |
US Patent US9624235 (2017)
BindingDB Entry DOI: 10.7270/Q2SQ92GH |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92730
(NSC332384, 2)Show InChI InChI=1S/C19H17N3O3/c1-12-6-17(22-20-10-13-4-3-5-14(7-13)23-2)15-8-18-19(25-11-24-18)9-16(15)21-12/h3-9H,10-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM318448
(NSC332397 | US9624235, Compound 6)Show SMILES Cc1cc(N\N=C\c2ccc(o2)[N+]([O-])=O)c2cc3OCOc3cc2n1 Show InChI InChI=1S/C16H12N4O5/c1-9-4-13(19-17-7-10-2-3-16(25-10)20(21)22)11-5-14-15(24-8-23-14)6-12(11)18-9/h2-7H,8H2,1H3,(H,18,19)/b17-7+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| US Patent
| 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
US Patent
| Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ... |
US Patent US9624235 (2017)
BindingDB Entry DOI: 10.7270/Q2SQ92GH |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92733
(NSC332396, 5)Show SMILES Cc1c(CN=Nc2cc(C)nc3cc4OCOc4cc23)c(=O)n(-c2ccccc2)n1C Show InChI InChI=1S/C23H21N5O3/c1-14-9-20(17-10-21-22(31-13-30-21)11-19(17)25-14)26-24-12-18-15(2)27(3)28(23(18)29)16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM318447
(NSC332396 | US9624235, Compound 5)Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1\C=N\Nc1cc(C)nc2cc3OCOc3cc12 Show InChI InChI=1S/C22H19N5O3/c1-13-8-19(16-9-20-21(30-12-29-20)10-18(16)24-13)25-23-11-17-14(2)26-27(22(17)28)15-6-4-3-5-7-15/h3-11,26H,12H2,1-2H3,(H,24,25)/b23-11+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| US Patent
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
US Patent
| Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ... |
US Patent US9624235 (2017)
BindingDB Entry DOI: 10.7270/Q2SQ92GH |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM318454
(NSC614430 | US9624235, Compound 13)Show SMILES [O-][N+](=O)c1ccccc1C(=O)Cc1nc2n[nH]c(=N)n2nc1CC(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C20H14N8O6/c21-19-23-24-20-22-13(9-17(29)11-5-1-3-7-15(11)27(31)32)14(25-26(19)20)10-18(30)12-6-2-4-8-16(12)28(33)34/h1-8H,9-10H2,(H2,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| US Patent
| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
US Patent
| Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ... |
US Patent US9624235 (2017)
BindingDB Entry DOI: 10.7270/Q2SQ92GH |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92740
(NSC614430, 13)Show SMILES Nc1nnc2nc(CC(=O)c3ccccc3[N+]([O-])=O)c(CC(=O)c3ccccc3[N+]([O-])=O)nn12 Show InChI InChI=1S/C20H14N8O6/c21-19-23-24-20-22-13(9-17(29)11-5-1-3-7-15(11)27(31)32)14(25-26(19)20)10-18(30)12-6-2-4-8-16(12)28(33)34/h1-8H,9-10H2,(H2,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM318452
(NSC131534 | US9624235, Compound 11)Show SMILES COc1ccc(cc1)C(\Cc1ccccc1)=N/Nc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C21H18N4O5/c1-30-18-10-7-16(8-11-18)19(13-15-5-3-2-4-6-15)23-22-17-9-12-20(24(26)27)21(14-17)25(28)29/h2-12,14,22H,13H2,1H3/b23-19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| US Patent
| 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
US Patent
| Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ... |
US Patent US9624235 (2017)
BindingDB Entry DOI: 10.7270/Q2SQ92GH |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92738
(NSC131534, 11)Show SMILES COc1ccc(cc1)[C-](Cc1ccccc1)\N=[NH+]\c1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C21H17N4O5/c1-30-18-10-7-16(8-11-18)19(13-15-5-3-2-4-6-15)23-22-17-9-12-20(24(26)27)21(14-17)25(28)29/h2-12,14H,13H2,1H3/q-1/p+1/b23-22+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM318449
(NSC300598 | US9624235, Compound 7)Show SMILES C\C(=N/Nc1cc(C)nc2ccc(C)cc12)c1cn(C)n(-c2ccccc2)c1=O Show InChI InChI=1S/C23H23N5O/c1-15-10-11-21-19(12-15)22(13-16(2)24-21)26-25-17(3)20-14-27(4)28(23(20)29)18-8-6-5-7-9-18/h5-14H,1-4H3,(H,24,26)/b25-17+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| US Patent
| 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
US Patent
| Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ... |
US Patent US9624235 (2017)
BindingDB Entry DOI: 10.7270/Q2SQ92GH |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92735
(NSC300598, 7)Show SMILES CC(N=Nc1cc(C)nc2ccc(C)cc12)c1cn(C)n(-c2ccccc2)c1=O Show InChI InChI=1S/C23H23N5O/c1-15-10-11-21-19(12-15)22(13-16(2)24-21)26-25-17(3)20-14-27(4)28(23(20)29)18-8-6-5-7-9-18/h5-14,17H,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92736
(NSC89640, 9)Show SMILES OC(=O)C(CCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C18H18N6O10/c25-18(26)15(20-14-7-5-12(22(29)30)10-17(14)24(33)34)3-1-2-8-19-13-6-4-11(21(27)28)9-16(13)23(31)32/h4-7,9-10,15,19-20H,1-3,8H2,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM318450
(NSC89640 | US9624235, Compound 9)Show SMILES O[NH+](O)c1cc(ccc1NCCCCC(NC(=C)C[N+]([O-])=O)C(O)=O)[N+]([O-])=O Show InChI InChI=1S/C15H21N5O8/c1-10(9-18(23)24)17-13(15(21)22)4-2-3-7-16-12-6-5-11(19(25)26)8-14(12)20(27)28/h5-6,8,13,16-17,27-28H,1-4,7,9H2,(H,21,22)/p+1 | PDB
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UniChem
| US Patent
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
US Patent
| Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ... |
US Patent US9624235 (2017)
BindingDB Entry DOI: 10.7270/Q2SQ92GH |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM318451
(NSC107215 | US9624235, Compound 10)Show SMILES C\C=C\C(=O)NCCCCNC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H21N3O4/c1-2-5-16(21)18-12-3-4-13-19-17(22)11-8-14-6-9-15(10-7-14)20(23)24/h2,5-11H,3-4,12-13H2,1H3,(H,18,21)(H,19,22)/b5-2+,11-8+ | PDB
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| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
US Patent
| Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ... |
US Patent US9624235 (2017)
BindingDB Entry DOI: 10.7270/Q2SQ92GH |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92737
(NSC107215, 10)Show SMILES [O-][N+](=O)c1ccc(\C=C\C(=O)NCCCCNC(=O)\C=C/c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C22H22N4O6/c27-21(13-7-17-3-9-19(10-4-17)25(29)30)23-15-1-2-16-24-22(28)14-8-18-5-11-20(12-6-18)26(31)32/h3-14H,1-2,15-16H2,(H,23,27)(H,24,28)/b13-7-,14-8+ | PDB
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| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92739
(NSC375491, 12 | US9624235, Compound 12)Show SMILES COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3cc4OCOc4cc23)c(OC)c1 Show InChI InChI=1S/C24H24O6/c1-24(2)10-16(25)23-21(11-24)30-18-9-20-19(28-12-29-20)8-15(18)22(23)14-6-5-13(26-3)7-17(14)27-4/h5-9,22H,10-12H2,1-4H3 | PDB
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| 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92739
(NSC375491, 12 | US9624235, Compound 12)Show SMILES COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3cc4OCOc4cc23)c(OC)c1 Show InChI InChI=1S/C24H24O6/c1-24(2)10-16(25)23-21(11-24)30-18-9-20-19(28-12-29-20)8-15(18)22(23)14-6-5-13(26-3)7-17(14)27-4/h5-9,22H,10-12H2,1-4H3 | PDB
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| 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
US Patent
| Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ... |
US Patent US9624235 (2017)
BindingDB Entry DOI: 10.7270/Q2SQ92GH |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM92741
(NSC402686, 14)Show InChI InChI=1S/C22H17NO2/c24-21(17-10-4-1-5-11-17)16-20(23-19-14-8-3-9-15-19)22(25)18-12-6-2-7-13-18/h1-15H,16H2 | PDB
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| 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
| Assay Description
A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described. |
Biochemistry 51: 6246-59 (2012)
Article DOI: 10.1021/bi300490r
BindingDB Entry DOI: 10.7270/Q2D7991B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM318455
(NSC402686 | US9624235, Compound 14)Show InChI InChI=1S/C22H17NO2/c24-21(17-10-4-1-5-11-17)16-20(23-19-14-8-3-9-15-19)22(25)18-12-6-2-7-13-18/h1-16,23H/b20-16+ | PDB
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| US Patent
| 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
US Patent
| Assay Description
The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput ... |
US Patent US9624235 (2017)
BindingDB Entry DOI: 10.7270/Q2SQ92GH |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50453751
(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 | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/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
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)Show SMILES OC(=O)C1=CC(C=CC1=O)=C(c1ccc(O)c(c1)C(O)=O)c1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31) | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/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
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)Show SMILES OC(=O)C1=CC(C=CC1=O)=C(c1ccc(O)c(c1)C(O)=O)c1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31) | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/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
(1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)...)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 | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL109037)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) | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Russian Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay |
Bioorg Med Chem 25: 2531-2544 (2017)
Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50436204
(CHEMBL109037)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) | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Central University of Punjab
Curated by ChEMBL
| Assay Description
Inhibition of human APE1 after 25 mins by fluorescence assay |
J Med Chem 57: 10241-56 (2014)
Article DOI: 10.1021/jm500865u
BindingDB Entry DOI: 10.7270/Q2XW4MD9 |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM26613
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)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+;;;; | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.5 | 22 |
The Johns Hopkins University
| Assay Description
The screening assay was performed using 384-well microtiter plate first spotted with test compounds. Then Ape1 in reaction buffer was added to each w... |
Mol Pharmacol 73: 669-77 (2008)
Article DOI: 10.1124/mol.107.042622
BindingDB Entry DOI: 10.7270/Q2WS8RJX |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50453740
(CHEMBL4217125)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 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Russian Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of nuclease activity of APE1 in human glioblastoma cells assessed as reduction in AP site DNA cleavage |
Bioorg Med Chem 25: 2531-2544 (2017)
Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM203861
((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+ | PDB
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Russian Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human APE1 using double-stranded DNA as substrate preincubated for 15 mins followed by substrate addition measured at 1 min... |
Bioorg Med Chem 25: 2531-2544 (2017)
Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM203861
((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+ | PDB
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Universidade de Lisboa
| Assay Description
In this assay, the complementary single-stranded oligonucleotides at 100
μm were mixed at a 1:1 ratio and annealed in assay buffer (50 mm Tris
pH ... |
Chem Biol Drug Des 88: 915-925 (2016)
Article DOI: 10.1111/cbdd.12826
BindingDB Entry DOI: 10.7270/Q2Q52NGR |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50029028
((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 | PDB
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/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
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)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+ | PDB
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PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/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
(Compound 15596 | N-{4-[dihydroxy(oxo)--stibanyl]ph...)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 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | 7.5 | 22 |
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
(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 | PDB
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CHEBI
CHEMBL
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| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/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
(3,8,9,10-tetrahydroxypyran[3,2-c]isochromene-2,6-q...)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 | PDB
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/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
(3,6,7-trimethoxyphenanthrene-2,5-diol | MLS0008635...)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 | PDB
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/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
(L2037 (beta-lapachone))Show InChI InChI=1S/C7H8N2O3/c1-9(8-12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3 | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Russian Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of nuclease activity of APE1 in human glioblastoma cells assessed as reduction in AP site DNA cleavage |
Bioorg Med Chem 25: 2531-2544 (2017)
Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50241313
((5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1...)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 | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Russian Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay |
Bioorg Med Chem 25: 2531-2544 (2017)
Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM114652
(CHEMBL1706858 | MLS003178551 | N-[3-(1,3-benzothia...)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) | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant APE1 using [35P]-5'-AP-DNA as substrate incubated for 15 mins prior to substrate addition measured after 5 mins by PAGE ana... |
J Med Chem 55: 3101-12 (2012)
Article DOI: 10.1021/jm201537d
BindingDB Entry DOI: 10.7270/Q2V98941 |
More data for this
Ligand-Target Pair | |
DNA-(apurinic or apyrimidinic site) endonuclease
(Homo sapiens (Human)) | BDBM50303973
((E)-N-(2-Hydroxyethyl)-3-(3-chloro-1,4-dioxonaphth...)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+ | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSA |
J Med Chem 53: 1200-10 (2010)
Article DOI: 10.1021/jm9014857
BindingDB Entry DOI: 10.7270/Q2HD7VR8 |
More data for this
Ligand-Target Pair | |
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