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Compile Data Set for Download or QSAR

Found 14 hits of ki data for polymerid = 5275   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM26621
PNG
(4-[dihydroxy(oxo)--stibanyl]-2-nitrobenzoic acid |...)
Show SMILES OC(=O)c1ccc(cc1[N+]([O-])=O)[Sb](O)(O)=O
Show InChI InChI=1S/C7H4NO4.2H2O.O.Sb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;/h1,3-4H,(H,9,10);2*1H2;;/q;;;;+2/p-2
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19 -10.4 4n/an/an/an/a7.522



The Johns Hopkins University



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


Mol Pharmacol 73: 669-77 (2008)

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


(Homo sapiens (Human))
BDBM26622
PNG
(Compound 13793 | ethyl 4-{4-[dihydroxy(oxo)--stiba...)
Show SMILES CCOC(=O)CCCc1ccc(cc1)[Sb](O)(O)=O
Show InChI InChI=1S/C12H15O2.2H2O.O.Sb/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11;;;;/h4-5,7-8H,2,6,9-10H2,1H3;2*1H2;;/q;;;;+2/p-2
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36 -10.0 17n/an/an/an/a7.522



The Johns Hopkins University



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


Mol Pharmacol 73: 669-77 (2008)

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


(Homo sapiens (Human))
BDBM92732
PNG
(NSC332395, 4)
Show SMILES CCn1c2ccccc2c2cc(CN=Nc3cc(C)nc4cc5OCOc5cc34)ccc12
Show InChI InChI=1S/C26H22N4O2/c1-3-30-23-7-5-4-6-18(23)19-11-17(8-9-24(19)30)14-27-29-22-10-16(2)28-21-13-26-25(12-20(21)22)31-15-32-26/h4-13H,3,14-15H2,1-2H3
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120n/an/an/an/an/an/an/an/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)

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


(Homo sapiens (Human))
BDBM92729
PNG
(NSC332398, 1)
Show SMILES CC(N=Nc1cc(C)nc2cc3OCOc3cc12)c1cn(C)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C23H21N5O3/c1-14-9-20(17-10-21-22(31-13-30-21)11-19(17)24-14)26-25-15(2)18-12-27(3)28(23(18)29)16-7-5-4-6-8-16/h4-12,15H,13H2,1-3H3
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180n/an/an/an/an/an/an/an/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)

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


(Homo sapiens (Human))
BDBM92731
PNG
(NSC332389, 3)
Show SMILES Cc1cc(N=NCc2ccc3OCOc3c2)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C19H15N3O4/c1-11-4-15(13-6-18-19(26-10-25-18)7-14(13)21-11)22-20-8-12-2-3-16-17(5-12)24-9-23-16/h2-7H,8-10H2,1H3
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190n/an/an/an/an/an/an/an/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)

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


(Homo sapiens (Human))
BDBM92730
PNG
(NSC332384, 2)
Show SMILES COc1cccc(CN=Nc2cc(C)nc3cc4OCOc4cc23)c1
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
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220n/an/an/an/an/an/an/an/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)

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


(Homo sapiens (Human))
BDBM92733
PNG
(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
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680n/an/an/an/an/an/an/an/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)

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


(Homo sapiens (Human))
BDBM92740
PNG
(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)
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4.90E+3n/an/an/an/an/an/an/an/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)

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


(Homo sapiens (Human))
BDBM92738
PNG
(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+
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6.70E+3n/an/an/an/an/an/an/an/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)

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


(Homo sapiens (Human))
BDBM92735
PNG
(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
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1.09E+4n/an/an/an/an/an/an/an/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)

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


(Homo sapiens (Human))
BDBM92736
PNG
(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)
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1.30E+4n/an/an/an/an/an/an/an/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)

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


(Homo sapiens (Human))
BDBM92737
PNG
(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+
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1.70E+4n/an/an/an/an/an/an/an/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)

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


(Homo sapiens (Human))
BDBM92739
PNG
(NSC375491, 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
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3.20E+4n/an/an/an/an/an/an/an/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)

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


(Homo sapiens (Human))
BDBM92741
PNG
(NSC402686, 14)
Show SMILES O=C(CC(=Nc1ccccc1)C(=O)c1ccccc1)c1ccccc1
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
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3.70E+4n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair