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Compile Data Set for Download or QSAR

Found 334 hits Enz. Inhib. hit(s) with Target = 'DNA Polymerase beta'   
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 polymerase gamma subunit 1


(Homo sapiens (human))
BDBM21688
PNG
(1-cyclopropyl-7-[4-(4-{4-[(3-ethyl-4-methylphenyl)...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3C)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C35H40F2N6O5/c1-4-22-15-23(8-7-20(22)2)38-28-17-29(44)42(35(48)39-28)12-6-5-11-40-13-14-41(18-21(40)3)32-27(36)16-25-31(30(32)37)43(24-9-10-24)19-26(33(25)45)34(46)47/h7-8,15-17,19,21,24,38H,4-6,9-14,18H2,1-3H3,(H,39,48)(H,46,47)
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PubMed
6.84E+5 -18.8n/an/an/an/an/a7.537



Microbiotix



Assay Description
Reaction velocities were determined at each dGTP concentration and used to create double reciprocal plots of velocity versus dGTP concentration. The ...


Antimicrob Agents Chemother 51: 119-27 (2007)


Article DOI: 10.1128/AAC.01311-05
BindingDB Entry DOI: 10.7270/Q2988599
More data for this
Ligand-Target Pair
DNA polymerase gamma subunit 1


(Homo sapiens (human))
BDBM21686
PNG
(3-(4-hydroxybutyl)-6-(3-ethyl-4-methylanilino)urac...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCO)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C17H23N3O3/c1-3-13-10-14(7-6-12(13)2)18-15-11-16(22)20(17(23)19-15)8-4-5-9-21/h6-7,10-11,18,21H,3-5,8-9H2,1-2H3,(H,19,23)
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>1.01E+6>-17.8n/an/an/an/an/a7.537



Microbiotix



Assay Description
Reaction velocities were determined at each dGTP concentration and used to create double reciprocal plots of velocity versus dGTP concentration. The ...


Antimicrob Agents Chemother 51: 119-27 (2007)


Article DOI: 10.1128/AAC.01311-05
BindingDB Entry DOI: 10.7270/Q2988599
More data for this
Ligand-Target Pair
DNA Polymerase beta


(Rattus norvegicus)
BDBM33386
PNG
(dehydroaltenusin derivative, 14)
Show SMILES CCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1
Show InChI InChI=1S/C17H16O6/c1-3-4-22-9-5-10-11-7-12(18)14(20)8-17(11,2)23-16(21)15(10)13(19)6-9/h5-7,19H,3-4,8H2,1-2H3
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n/an/a 3.50E+4n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
DNA Polymerase beta


(Rattus norvegicus)
BDBM33387
PNG
(dehydroaltenusin derivative, 15)
Show SMILES CCCCCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1
Show InChI InChI=1S/C20H22O6/c1-3-4-5-6-7-25-12-8-13-14-10-15(21)17(23)11-20(14,2)26-19(24)18(13)16(22)9-12/h8-10,22H,3-7,11H2,1-2H3
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n/an/a 2.40E+4n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
DNA Polymerase beta


(Rattus norvegicus)
BDBM33388
PNG
(dehydroaltenusin derivative, 16)
Show SMILES CCCCCCCCCCCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1
Show InChI InChI=1S/C26H34O6/c1-3-4-5-6-7-8-9-10-11-12-13-31-18-14-19-20-16-21(27)23(29)17-26(20,2)32-25(30)24(19)22(28)15-18/h14-16,28H,3-13,17H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
DNA Polymerase beta


(Rattus norvegicus)
BDBM33389
PNG
(dehydroaltenusin derivative, 20)
Show SMILES CC12CC(=O)C(=O)C=C1c1cccc(O)c1C(=O)O2
Show InChI InChI=1S/C14H10O5/c1-14-6-11(17)10(16)5-8(14)7-3-2-4-9(15)12(7)13(18)19-14/h2-5,15H,6H2,1H3
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n/an/a 8.90E+4n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
DNA Polymerase beta


(Rattus norvegicus)
BDBM33390
PNG
(dehydroaltenusin derivative, 25)
Show SMILES COc1cc(O)c2c(c1)c1cc(OCc3ccccc3)c(OCc3ccccc3)cc1oc2=O
Show InChI InChI=1S/C28H22O6/c1-31-20-12-22-21-14-25(32-16-18-8-4-2-5-9-18)26(33-17-19-10-6-3-7-11-19)15-24(21)34-28(30)27(22)23(29)13-20/h2-15,29H,16-17H2,1H3
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n/an/a>2.00E+5n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
DNA Polymerase beta


(Rattus norvegicus)
BDBM33385
PNG
(desmethyldehydroaltenusin, 2)
Show SMILES CC12CC(=O)C(=O)C=C1c1cc(O)cc(O)c1C(=O)O2
Show InChI InChI=1S/C14H10O6/c1-14-5-11(18)9(16)4-8(14)7-2-6(15)3-10(17)12(7)13(19)20-14/h2-4,15,17H,5H2,1H3
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n/an/a 1.26E+5n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
DNA Polymerase beta


(Rattus norvegicus)
BDBM33384
PNG
(dehydroaltenusin)
Show SMILES COc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1
Show InChI InChI=1S/C15H12O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,17H,6H2,1-2H3
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n/an/a 6.40E+4n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
DNA Polymerase beta


(Rattus norvegicus)
BDBM33391
PNG
(dehydroaltenusin derivative, 26)
Show SMILES COc1cc(O)c2c(c1)c1cc(O)c(O)cc1oc2=O
Show InChI InChI=1S/C14H10O6/c1-19-6-2-8-7-4-9(15)10(16)5-12(7)20-14(18)13(8)11(17)3-6/h2-5,15-17H,1H3
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n/an/a>2.00E+5n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
DNA Polymerase beta


(Rattus norvegicus)
BDBM33393
PNG
(dehydroaltenusin derivative, 32)
Show SMILES CC12OC(=O)c3c(O)cccc3C1=CC(=O)C=C2
Show InChI InChI=1S/C14H10O4/c1-14-6-5-8(15)7-10(14)9-3-2-4-11(16)12(9)13(17)18-14/h2-7,16H,1H3
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n/an/a>2.00E+5n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
DNA Polymerase beta


(Rattus norvegicus)
BDBM33392
PNG
(dehydroaltenusin derivative, 31)
Show SMILES COc1cc(O)c2C(=O)OC3(C)C=CC(=O)C=C3c2c1
Show InChI InChI=1S/C15H12O5/c1-15-4-3-8(16)5-11(15)10-6-9(19-2)7-12(17)13(10)14(18)20-15/h3-7,17H,1-2H3
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n/an/a>2.00E+5n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM50293303
PNG
(CHEMBL498103 | gallic acid 5,6-dihydroxy-3-carboxy...)
Show SMILES OC(=O)c1cc(O)c(O)c(OC(=O)c2ccc(O)c(O)c2O)c1
Show InChI InChI=1S/C14H10O9/c15-7-2-1-6(10(17)12(7)19)14(22)23-9-4-5(13(20)21)3-8(16)11(9)18/h1-4,15-19H,(H,20,21)
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390n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta from human KB3 cells


J Nat Prod 53: 1234-1240 (1990)


Article DOI: 10.1021/np50071a015
BindingDB Entry DOI: 10.7270/Q27P8ZC7
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM50253141
PNG
([(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)CP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H19N2O13P3/c1-6-3-13(11(16)12-10(6)15)9-2-7(14)8(25-9)4-24-27(17,18)5-28(19,20)26-29(21,22)23/h3,7-9,14H,2,4-5H2,1H3,(H,17,18)(H,19,20)(H,12,15,16)(H2,21,22,23)/p-4/t7-,8+,9+/m0/s1
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600n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


J Med Chem 51: 6460-70 (2008)


Article DOI: 10.1021/jm800692a
BindingDB Entry DOI: 10.7270/Q29P32JF
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM50253100
PNG
([(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-...)
Show SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)CP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)n1
Show InChI InChI=1S/C10H18N3O12P3/c11-8-1-2-13(10(15)12-8)9-3-6(14)7(24-9)4-23-26(16,17)5-27(18,19)25-28(20,21)22/h1-2,6-7,9,14H,3-5H2,(H,16,17)(H,18,19)(H2,11,12,15)(H2,20,21,22)/p-4/t6-,7+,9+/m0/s1
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900n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


J Med Chem 51: 6460-70 (2008)


Article DOI: 10.1021/jm800692a
BindingDB Entry DOI: 10.7270/Q29P32JF
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM50253142
PNG
([(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)CP([O-])(=O)OP([O-])([O-])=O)O1
Show InChI InChI=1S/C11H18N5O12P3/c12-11-14-9-8(10(18)15-11)13-3-16(9)7-1-5(17)6(27-7)2-26-29(19,20)4-30(21,22)28-31(23,24)25/h3,5-7,17H,1-2,4H2,(H,19,20)(H,21,22)(H2,23,24,25)(H3,12,14,15,18)/p-4/t5-,6+,7+/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


J Med Chem 51: 6460-70 (2008)


Article DOI: 10.1021/jm800692a
BindingDB Entry DOI: 10.7270/Q29P32JF
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50241570
PNG
((24E)-3beta-hydroxy-7,24-euphadien-26-oic acid | C...)
Show SMILES C[C@@H](CC\C=C(/C)C(O)=O)[C@]1(C)CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
Show InChI InChI=1S/C31H50O3/c1-20(26(33)34)10-9-11-21(2)29(6)18-19-30(7)23-12-13-24-27(3,4)25(32)15-16-28(24,5)22(23)14-17-31(29,30)8/h10,12,21-22,24-25,32H,9,11,13-19H2,1-8H3,(H,33,34)/b20-10+/t21-,22-,24-,25-,28+,29-,30+,31-/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DNA polymerase beta after 20 mins by uncompetitive inhibition assay in presence of activated calf thymus DNA and 0.1 mg...


J Nat Prod 63: 1356-60 (2000)


Article DOI: 10.1021/np000129m
BindingDB Entry DOI: 10.7270/Q2X066S2
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50109030
PNG
(4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16?,17+,18+,19-,20+,21+,23+,24-/m1/s1
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4.70E+3n/an/an/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition constant of the compound was determined at a concentration of 5 microM on rat DNA polymerase beta as a function of template primer dose


Bioorg Med Chem Lett 12: 287-90 (2002)


Article DOI: 10.1016/s0960-894x(01)00725-9
BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM50377969
PNG
(CHEMBL1162297)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO[P@](O)(=O)C[P@@](O)(=O)OP(O)(O)=O)O1
Show InChI InChI=1S/C11H18N5O11P3/c12-10-9-11(14-3-13-10)16(4-15-9)8-1-6(17)7(26-8)2-25-28(18,19)5-29(20,21)27-30(22,23)24/h3-4,6-8,17H,1-2,5H2,(H,18,19)(H,20,21)(H2,12,13,14)(H2,22,23,24)/t6-,7+,8+/m0/s1
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5.00E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


J Med Chem 51: 6460-70 (2008)


Article DOI: 10.1021/jm800692a
BindingDB Entry DOI: 10.7270/Q29P32JF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase beta


(Rattus norvegicus)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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5.50E+3n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant rat DNA polymerase beta using poly(dA)/oligo(dT)18 as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50109030
PNG
(4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16?,17+,18+,19-,20+,21+,23+,24-/m1/s1
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6.60E+3n/an/an/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition constant of the compound was determined at a concentration of 10 microM on rat DNA polymerase beta as a function of nucleotide substrate c...


Bioorg Med Chem Lett 12: 287-90 (2002)


Article DOI: 10.1016/s0960-894x(01)00725-9
BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50250426
PNG
((+)-Myristinin A | CHEMBL465365)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)cc(O)c([C@@H]2C[C@H](Oc3cc(O)ccc23)c2ccc(O)cc2)c1O
Show InChI InChI=1S/C33H40O7/c1-2-3-4-5-6-7-8-9-10-11-26(36)32-28(38)20-27(37)31(33(32)39)25-19-29(21-12-14-22(34)15-13-21)40-30-18-23(35)16-17-24(25)30/h12-18,20,25,29,34-35,37-39H,2-11,19H2,1H3/t25-,29+/m1/s1
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1.10E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity of rat recombinant DNA polymerase beta using variable levels of DNA template-primer


J Nat Prod 68: 1625-8 (2005)


Article DOI: 10.1021/np058064g
BindingDB Entry DOI: 10.7270/Q2Q2400B
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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1.16E+4n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of recombinant rat DNA polymerase beta using dTTP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50250427
PNG
((+)-Myristinin D | CHEMBL448072)
Show SMILES Oc1ccc(cc1)[C@@H]1C[C@H](c2ccc(O)cc2O1)c1c(O)cc(O)c(C(=O)CCCCCCCCc2ccccc2)c1O
Show InChI InChI=1S/C36H38O7/c37-25-16-14-24(15-17-25)32-21-28(27-19-18-26(38)20-33(27)43-32)34-30(40)22-31(41)35(36(34)42)29(39)13-9-4-2-1-3-6-10-23-11-7-5-8-12-23/h5,7-8,11-12,14-20,22,28,32,37-38,40-42H,1-4,6,9-10,13,21H2/t28-,32+/m1/s1
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1.20E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity of rat recombinant DNA polymerase beta using variable levels of DNA template-primer


J Nat Prod 68: 1625-8 (2005)


Article DOI: 10.1021/np058064g
BindingDB Entry DOI: 10.7270/Q2Q2400B
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50109029
PNG
(4-{10,13-Dimethyl-3-[3-(6-{6-[5-(2-oxo-hexahydro-t...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC12
Show InChI InChI=1S/C49H81N5O8S/c1-32(16-21-44(58)59)36-19-20-37-35-18-17-33-30-34(22-25-48(33,2)38(35)23-26-49(36,37)3)62-45(60)24-29-52-43(57)14-7-5-11-27-50-41(55)13-6-4-10-28-51-42(56)15-9-8-12-40-46-39(31-63-40)53-47(61)54-46/h32-40,46H,4-31H2,1-3H3,(H,50,55)(H,51,56)(H,52,57)(H,58,59)(H2,53,54,61)/t32-,33?,34+,35+,36-,37+,38+,39?,40?,46?,48+,49-/m1/s1
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1.28E+4n/an/an/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition constant of the compound was determined at a concentration of 5 microM on rat DNA polymerase beta as a function of template primer dose


Bioorg Med Chem Lett 12: 287-90 (2002)


Article DOI: 10.1016/s0960-894x(01)00725-9
BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50241570
PNG
((24E)-3beta-hydroxy-7,24-euphadien-26-oic acid | C...)
Show SMILES C[C@@H](CC\C=C(/C)C(O)=O)[C@]1(C)CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
Show InChI InChI=1S/C31H50O3/c1-20(26(33)34)10-9-11-21(2)29(6)18-19-30(7)23-12-13-24-27(3,4)25(32)15-16-28(24,5)22(23)14-17-31(29,30)8/h10,12,21-22,24-25,32H,9,11,13-19H2,1-8H3,(H,33,34)/b20-10+/t21-,22-,24-,25-,28+,29-,30+,31-/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DNA polymerase beta after 20 mins by noncompetitive inhibition assay in presence of activated calf thymus DNA and 0.1 m...


J Nat Prod 63: 1356-60 (2000)


Article DOI: 10.1021/np000129m
BindingDB Entry DOI: 10.7270/Q2X066S2
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50109029
PNG
(4-{10,13-Dimethyl-3-[3-(6-{6-[5-(2-oxo-hexahydro-t...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC12
Show InChI InChI=1S/C49H81N5O8S/c1-32(16-21-44(58)59)36-19-20-37-35-18-17-33-30-34(22-25-48(33,2)38(35)23-26-49(36,37)3)62-45(60)24-29-52-43(57)14-7-5-11-27-50-41(55)13-6-4-10-28-51-42(56)15-9-8-12-40-46-39(31-63-40)53-47(61)54-46/h32-40,46H,4-31H2,1-3H3,(H,50,55)(H,51,56)(H,52,57)(H,58,59)(H2,53,54,61)/t32-,33?,34+,35+,36-,37+,38+,39?,40?,46?,48+,49-/m1/s1
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2.01E+4n/an/an/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition constant of the compound was determined at a concentration of 10 microM on rat DNA polymerase beta as a function of template primer dose


Bioorg Med Chem Lett 12: 287-90 (2002)


Article DOI: 10.1016/s0960-894x(01)00725-9
BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50241570
PNG
((24E)-3beta-hydroxy-7,24-euphadien-26-oic acid | C...)
Show SMILES C[C@@H](CC\C=C(/C)C(O)=O)[C@]1(C)CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
Show InChI InChI=1S/C31H50O3/c1-20(26(33)34)10-9-11-21(2)29(6)18-19-30(7)23-12-13-24-27(3,4)25(32)15-16-28(24,5)22(23)14-17-31(29,30)8/h10,12,21-22,24-25,32H,9,11,13-19H2,1-8H3,(H,33,34)/b20-10+/t21-,22-,24-,25-,28+,29-,30+,31-/m0/s1
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2.80E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DNA polymerase beta after 20 mins by uncompetitive inhibition assay in presence of [3H]dTTP and 0.1 mg/mL BSA


J Nat Prod 63: 1356-60 (2000)


Article DOI: 10.1021/np000129m
BindingDB Entry DOI: 10.7270/Q2X066S2
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50241570
PNG
((24E)-3beta-hydroxy-7,24-euphadien-26-oic acid | C...)
Show SMILES C[C@@H](CC\C=C(/C)C(O)=O)[C@]1(C)CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
Show InChI InChI=1S/C31H50O3/c1-20(26(33)34)10-9-11-21(2)29(6)18-19-30(7)23-12-13-24-27(3,4)25(32)15-16-28(24,5)22(23)14-17-31(29,30)8/h10,12,21-22,24-25,32H,9,11,13-19H2,1-8H3,(H,33,34)/b20-10+/t21-,22-,24-,25-,28+,29-,30+,31-/m0/s1
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8.20E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DNA polymerase beta after 20 mins by noncompetitive inhibition assay in presence of [3H]dTTP and 0.1 mg/mL BSA


J Nat Prod 63: 1356-60 (2000)


Article DOI: 10.1021/np000129m
BindingDB Entry DOI: 10.7270/Q2X066S2
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM50257635
PNG
((-)-BETA-SITOSTEROL-BETA-D-GLUCOPYRANOSIDE | (2R,3...)
Show SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C
Show InChI InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
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n/an/a 2.65E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta (unknown origin) lyase activity


J Nat Prod 67: 899-901 (2004)


Article DOI: 10.1021/np030531b
BindingDB Entry DOI: 10.7270/Q2KH0N38
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104067
PNG
(DNA polymerase inhibitor 1)
Show SMILES Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H12N2O3S3/c1-10-2-5-12(6-3-10)24-14-7-4-11(8-13(14)19(21)22)9-15-16(20)18-17(23)25-15/h2-9H,1H3,(H,18,20,23)
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n/an/a 6.44E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104068
PNG
((Z)-5-(4-(Cyclohexylthio)-3-nitrobenzylidene)-2-th...)
Show SMILES [O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1SC1CCCCC1
Show InChI InChI=1S/C16H16N2O3S3/c19-15-14(24-16(22)17-15)9-10-6-7-13(12(8-10)18(20)21)23-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,17,19,22)
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n/an/a<5.00E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104069
PNG
((Z)-5-(3-Nitro-4-(p-tolylthio)benzylidene)thiazoli...)
Show SMILES Cc1ccc(Sc2ccc(C=C3SC(O)=NC3=O)cc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H12N2O4S2/c1-10-2-5-12(6-3-10)24-14-7-4-11(8-13(14)19(22)23)9-15-16(20)18-17(21)25-15/h2-9H,1H3,(H,18,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104074
PNG
((Z)-5-(1-(3-Nitro-4-(p-tolylthio)phenyl)ethylidene...)
Show SMILES Cc1ccc(Sc2ccc(cc2[N+]([O-])=O)C(=C)c2sc(S)nc2O)cc1
Show InChI InChI=1S/C18H14N2O3S3/c1-10-3-6-13(7-4-10)25-15-8-5-12(9-14(15)20(22)23)11(2)16-17(21)19-18(24)26-16/h3-9,21H,2H2,1H3,(H,19,24)
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n/an/a<5.00E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104077
PNG
((Z)-2-Thioxo-5-(4-(p-tolylthio)benzylidene)thiazol...)
Show SMILES Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2)cc1
Show InChI InChI=1S/C17H13NOS3/c1-11-2-6-13(7-3-11)21-14-8-4-12(5-9-14)10-15-16(19)18-17(20)22-15/h2-10H,1H3,(H,18,19,20)
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n/an/a<5.00E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104078
PNG
((Z)-5-(3-Fluoro-4-(p-tolylthio)benzylidene)-2-thio...)
Show SMILES Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2F)cc1
Show InChI InChI=1S/C17H12FNOS3/c1-10-2-5-12(6-3-10)22-14-7-4-11(8-13(14)18)9-15-16(20)19-17(21)23-15/h2-9H,1H3,(H,19,20,21)
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n/an/a 3.87E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104079
PNG
((Z)-5-(3-Chloro-4-(p-tolylthio)benzylidene)-2-thio...)
Show SMILES Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2Cl)cc1
Show InChI InChI=1S/C17H12ClNOS3/c1-10-2-5-12(6-3-10)22-14-7-4-11(8-13(14)18)9-15-16(20)19-17(21)23-15/h2-9H,1H3,(H,19,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104080
PNG
((Z)-5-(3-Bromo-4-(p-tolylthio)benzylidene)-2-thiox...)
Show SMILES Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2Br)cc1
Show InChI InChI=1S/C17H12BrNOS3/c1-10-2-5-12(6-3-10)22-14-7-4-11(8-13(14)18)9-15-16(20)19-17(21)23-15/h2-9H,1H3,(H,19,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104081
PNG
((Z)-2-Thioxo-5-(4-(p-tolylthio)-3- (trifluoromethy...)
Show SMILES Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2C(F)(F)F)cc1
Show InChI InChI=1S/C18H12F3NOS3/c1-10-2-5-12(6-3-10)25-14-7-4-11(8-13(14)18(19,20)21)9-15-16(23)22-17(24)26-15/h2-9H,1H3,(H,22,23,24)
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n/an/a 2.81E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104083
PNG
((Z)-5-(4-((4-Ethylphenyl)thio)-3-nitrobenzylidene)...)
Show SMILES CCc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H14N2O3S3/c1-2-11-3-6-13(7-4-11)25-15-8-5-12(9-14(15)20(22)23)10-16-17(21)19-18(24)26-16/h3-10H,2H2,1H3,(H,19,21,24)
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n/an/a<5.00E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104084
PNG
((Z)-5-(3-Nitro-4-((4-(trifluoromethyl)phenyl)thio)...)
Show SMILES [O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1Sc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H9F3N2O3S3/c18-17(19,20)10-2-4-11(5-3-10)27-13-6-1-9(7-12(13)22(24)25)8-14-15(23)21-16(26)28-14/h1-8H,(H,21,23,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104085
PNG
((Z)-5-(3-Nitro-4-((4-(trifluoromethoxy)phenyl)thio...)
Show SMILES [O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1Sc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H9F3N2O4S3/c18-17(19,20)26-10-2-4-11(5-3-10)28-13-6-1-9(7-12(13)22(24)25)8-14-15(23)21-16(27)29-14/h1-8H,(H,21,23,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104086
PNG
((Z)-5-(4-((3-Fluoro-4-methylphenyl)thio)-3-nitrobe...)
Show SMILES Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2[N+]([O-])=O)cc1F
Show InChI InChI=1S/C17H11FN2O3S3/c1-9-2-4-11(8-12(9)18)25-14-5-3-10(6-13(14)20(22)23)7-15-16(21)19-17(24)26-15/h2-8H,1H3,(H,19,21,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104087
PNG
((Z)-5-(3-Nitro-4-((2,3,5,6-tetrafluoro-4-(trifluor...)
Show SMILES [O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1Sc1c(F)c(F)c(c(F)c1F)C(F)(F)F
Show InChI InChI=1S/C17H5F7N2O3S3/c18-10-9(17(22,23)24)11(19)13(21)14(12(10)20)31-7-2-1-5(3-6(7)26(28)29)4-8-15(27)25-16(30)32-8/h1-4H,(H,25,27,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104088
PNG
((Z)-5-(3-Nitro-4-(m-tolylthio)benzylidene)-2-thiox...)
Show SMILES Cc1cccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2[N+]([O-])=O)c1
Show InChI InChI=1S/C17H12N2O3S3/c1-10-3-2-4-12(7-10)24-14-6-5-11(8-13(14)19(21)22)9-15-16(20)18-17(23)25-15/h2-9H,1H3,(H,18,20,23)
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n/an/a 2.98E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104089
PNG
((Z)-5-(3-Nitro-4-(o-tolylthio)benzylidene)-2-thiox...)
Show SMILES Cc1ccccc1Sc1ccc(C=C2SC(S)=NC2=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H12N2O3S3/c1-10-4-2-3-5-13(10)24-14-7-6-11(8-12(14)19(21)22)9-15-16(20)18-17(23)25-15/h2-9H,1H3,(H,18,20,23)
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n/an/a 1.82E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104090
PNG
((Z)-5-(4-((3,5-Dimethylphenyl)thio)-3-nitrobenzyli...)
Show SMILES Cc1cc(C)cc(Sc2ccc(C=C3SC(S)=NC3=O)cc2[N+]([O-])=O)c1
Show InChI InChI=1S/C18H14N2O3S3/c1-10-5-11(2)7-13(6-10)25-15-4-3-12(8-14(15)20(22)23)9-16-17(21)19-18(24)26-16/h3-9H,1-2H3,(H,19,21,24)
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n/an/a<5.00E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104091
PNG
((Z)-5-(4-(Naphthalen-2-ylthio)-3-nitrobenzylidene)...)
Show SMILES [O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1Sc1ccc2ccccc2c1
Show InChI InChI=1S/C20H12N2O3S3/c23-19-18(28-20(26)21-19)10-12-5-8-17(16(9-12)22(24)25)27-15-7-6-13-3-1-2-4-14(13)11-15/h1-11H,(H,21,23,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104092
PNG
((Z)-5-(4-(Cyclopentylthio)-3-nitrobenzylidene)-2-t...)
Show SMILES [O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1SC1CCCC1
Show InChI InChI=1S/C15H14N2O3S3/c18-14-13(23-15(21)16-14)8-9-5-6-12(11(7-9)17(19)20)22-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,16,18,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM104093
PNG
((Z)-5-(3-Bromo-4-((3-fluoro-4-methylphenyl)thio)be...)
Show SMILES Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2Br)cc1F
Show InChI InChI=1S/C17H11BrFNOS3/c1-9-2-4-11(8-13(9)19)23-14-5-3-10(6-12(14)18)7-15-16(21)20-17(22)24-15/h2-8H,1H3,(H,20,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair
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