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Compile Data Set for Download or QSAR

Found 340 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 beta


(Homo sapiens (Human))
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 (Human))
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 |r|
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 (Human))
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 |r|
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 (Human))
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 |r|
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 |r,t:16|
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)


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 [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[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)


BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
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 |r|
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 |r|
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 [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[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)


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 |r|
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 |r|
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 |r|
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 [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@H](CC[C@]4(C)[C@@]3([H])CC[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)


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 |r,t:16|
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)


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 [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@H](CC[C@]4(C)[C@@]3([H])CC[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)


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 |r,t:16|
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)


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 |r,t:16|
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)


BindingDB Entry DOI: 10.7270/Q2X066S2
More data for this
Ligand-Target Pair
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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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


(Mus musculus)
BDBM50027113
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\OCCCc4ccccc4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:35,t:3,37|
Show InChI InChI=1S/C47H58N2O12/c1-25-15-13-16-26(2)46(56)49-38-33(24-48-59-21-14-19-32-17-11-10-12-18-32)23-34-36(42(38)54)41(53)30(6)44-37(34)45(55)47(8,61-44)58-22-20-35(57-9)27(3)43(60-31(7)50)29(5)40(52)28(4)39(25)51/h10-13,15-18,20,22-25,27-29,35,39-40,43,51-54H,14,19,21H2,1-9H3,(H,49,56)/b15-13+,22-20+,26-16-,48-24+
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n/an/a 0.00000700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027121
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES CCCCCCCCN(CCCCCCCC)\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4 |c:44,t:46,68|
Show InChI InChI=1S/C54H81N3O11/c1-12-14-16-18-20-22-28-57(29-23-21-19-17-15-13-2)55-32-40-31-41-43-48(61)38(8)51-44(41)52(63)54(10,68-51)66-30-27-42(65-11)35(5)50(67-39(9)58)37(7)47(60)36(6)46(59)33(3)25-24-26-34(4)53(64)56-45(40)49(43)62/h24-27,30-33,35-37,42,46-47,50,59-62H,12-23,28-29H2,1-11H3,(H,56,64)/b25-24+,30-27+,34-26-,55-32+
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n/an/a 0.00000700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027109
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\OC(c4ccccc4)c4ccccc4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:40,t:3,42|
Show InChI InChI=1S/C51H58N2O12/c1-27-17-16-18-28(2)50(60)53-41-36(26-52-65-48(34-19-12-10-13-20-34)35-21-14-11-15-22-35)25-37-39(45(41)58)44(57)32(6)47-40(37)49(59)51(8,64-47)62-24-23-38(61-9)29(3)46(63-33(7)54)31(5)43(56)30(4)42(27)55/h10-27,29-31,38,42-43,46,48,55-58H,1-9H3,(H,53,60)/b17-16+,24-23+,28-18-,52-26+
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n/an/a 0.0000100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027130
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES CCCCCCCCO\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4 |c:36,t:38,60|
Show InChI InChI=1S/C46H64N2O12/c1-11-12-13-14-15-16-21-58-47-24-32-23-33-35-40(52)30(7)43-36(33)44(54)46(9,60-43)57-22-20-34(56-10)27(4)42(59-31(8)49)29(6)39(51)28(5)38(50)25(2)18-17-19-26(3)45(55)48-37(32)41(35)53/h17-20,22-25,27-29,34,38-39,42,50-53H,11-16,21H2,1-10H3,(H,48,55)/b18-17+,22-20+,26-19-,47-24+
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n/an/a 0.0000130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027112
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES [#6]-[#8]-[#6]-1\[#6]=[#6]\[#8]C2([#6])[#8]-c3c(-[#6]2=O)c2cc(-[#6]-[#7]\[#7]=[#6]-4\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-4)c(-[#7]-[#6](=O)-[#6](-[#6])=[#6]-[#6]=[#6]-[#6](-[#6])-[#6](-[#8])-[#6](-[#6])-[#6](-[#8])-[#6](-[#6])-[#6](-[#8]-[#6](-[#6])=O)-[#6]-1-[#6])c(-[#8])c2c(-[#8])c3-[#6] |w:40.42,42.44,t:3|
Show InChI InChI=1S/C53H77N3O11/c1-31-23-22-24-32(2)52(63)55-44-38(30-54-56-39-25-20-18-16-14-12-10-11-13-15-17-19-21-26-39)29-40-42(48(44)61)47(60)36(6)50-43(40)51(62)53(8,67-50)65-28-27-41(64-9)33(3)49(66-37(7)57)35(5)46(59)34(4)45(31)58/h22-24,27-29,31,33-35,41,45-46,49,54,58-61H,10-21,25-26,30H2,1-9H3,(H,55,63)/b23-22?,28-27+,32-24?
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n/an/a 0.0000150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027111
PNG
(26-(4-aminohexahydro-1-pyrazinyliminomethyl)-2,15,...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCN(N)CC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:32,t:3,34|
Show InChI InChI=1S/C42H57N5O11/c1-21-11-10-12-22(2)41(54)45-33-28(20-44-47-16-14-46(43)15-17-47)19-29-31(37(33)52)36(51)26(6)39-32(29)40(53)42(8,58-39)56-18-13-30(55-9)23(3)38(57-27(7)48)25(5)35(50)24(4)34(21)49/h10-13,18-21,23-25,30,34-35,38,49-52H,14-17,43H2,1-9H3,(H,45,54)/b11-10+,18-13+,22-12-,44-20+
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n/an/a 0.0000160n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027126
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCCCCCCCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:38,t:3,40|
Show InChI InChI=1S/C50H71N3O11/c1-29-21-20-22-30(2)49(60)52-41-36(28-51-53-24-18-16-14-12-10-11-13-15-17-19-25-53)27-37-39(45(41)58)44(57)34(6)47-40(37)48(59)50(8,64-47)62-26-23-38(61-9)31(3)46(63-35(7)54)33(5)43(56)32(4)42(29)55/h20-23,26-29,31-33,38,42-43,46,55-58H,10-19,24-25H2,1-9H3,(H,52,60)/b21-20+,26-23+,30-22-,51-28+
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n/an/a 0.0000190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027123
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4C(C)CN(Cc5ccccc5)CC4C)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:41,t:3,43|
Show InChI InChI=1S/C51H66N4O11/c1-27-16-15-17-28(2)50(62)53-42-37(23-52-55-29(3)24-54(25-30(55)4)26-36-18-13-12-14-19-36)22-38-40(46(42)60)45(59)34(8)48-41(38)49(61)51(10,66-48)64-21-20-39(63-11)31(5)47(65-35(9)56)33(7)44(58)32(6)43(27)57/h12-23,27,29-33,39,43-44,47,57-60H,24-26H2,1-11H3,(H,53,62)/b16-15+,21-20+,28-17-,52-23+
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n/an/a 0.0000210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027120
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCCCCCCCCCCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:41,t:3,43|
Show InChI InChI=1S/C53H77N3O11/c1-32-24-23-25-33(2)52(63)55-44-39(31-54-56-27-21-19-17-15-13-11-10-12-14-16-18-20-22-28-56)30-40-42(48(44)61)47(60)37(6)50-43(40)51(62)53(8,67-50)65-29-26-41(64-9)34(3)49(66-38(7)57)36(5)46(59)35(4)45(32)58/h23-26,29-32,34-36,41,45-46,49,58-61H,10-22,27-28H2,1-9H3,(H,55,63)/b24-23+,29-26+,33-25-,54-31+
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n/an/a 0.0000220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027124
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCCCCCCCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:36,t:3,38|
Show InChI InChI=1S/C48H67N3O11/c1-27-19-18-20-28(2)47(58)50-39-34(26-49-51-22-16-14-12-10-11-13-15-17-23-51)25-35-37(43(39)56)42(55)32(6)45-38(35)46(57)48(8,62-45)60-24-21-36(59-9)29(3)44(61-33(7)52)31(5)41(54)30(4)40(27)53/h18-21,24-27,29-31,36,40-41,44,53-56H,10-17,22-23H2,1-9H3,(H,50,58)/b19-18+,24-21+,28-20-,49-26+
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n/an/a 0.0000220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027125
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4C(C)CN(Cc5ccc(cc5)C#N)CC4C)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:43,t:3,45|
Show InChI InChI=1S/C52H65N5O11/c1-27-13-12-14-28(2)51(64)55-43-38(23-54-57-29(3)24-56(25-30(57)4)26-37-17-15-36(22-53)16-18-37)21-39-41(47(43)62)46(61)34(8)49-42(39)50(63)52(10,68-49)66-20-19-40(65-11)31(5)48(67-35(9)58)33(7)45(60)32(6)44(27)59/h12-21,23,27,29-33,40,44-45,48,59-62H,24-26H2,1-11H3,(H,55,64)/b13-12+,20-19+,28-14-,54-23+
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n/an/a 0.0000220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027115
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES CCCN(CCC)\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4 |c:34,t:36,58|
Show InChI InChI=1S/C44H61N3O11/c1-12-18-47(19-13-2)45-22-30-21-31-33-38(51)28(8)41-34(31)42(53)44(10,58-41)56-20-17-32(55-11)25(5)40(57-29(9)48)27(7)37(50)26(6)36(49)23(3)15-14-16-24(4)43(54)46-35(30)39(33)52/h14-17,20-23,25-27,32,36-37,40,49-52H,12-13,18-19H2,1-11H3,(H,46,54)/b15-14+,20-17+,24-16-,45-22+
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n/an/a 0.0000450n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027114
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES CCCCCN(CCCCC)\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4 |c:38,t:40,62|
Show InChI InChI=1S/C48H69N3O11/c1-12-14-16-22-51(23-17-15-13-2)49-26-34-25-35-37-42(55)32(8)45-38(35)46(57)48(10,62-45)60-24-21-36(59-11)29(5)44(61-33(9)52)31(7)41(54)30(6)40(53)27(3)19-18-20-28(4)47(58)50-39(34)43(37)56/h18-21,24-27,29-31,36,40-41,44,53-56H,12-17,22-23H2,1-11H3,(H,50,58)/b19-18+,24-21+,28-20-,49-26+
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027128
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc([CH-]\N=[NH+]\c4ccc(cc4[N+]([O-])=O)[N+]([O-])=O)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:38,t:3,40|
Show InChI InChI=1S/C44H50N5O15/c1-20-11-10-12-21(2)43(56)46-35-27(19-45-47-30-14-13-28(48(57)58)18-31(30)49(59)60)17-29-33(39(35)54)38(53)25(6)41-34(29)42(55)44(8,64-41)62-16-15-32(61-9)22(3)40(63-26(7)50)24(5)37(52)23(4)36(20)51/h10-20,22-24,32,36-37,40,51-54H,1-9H3,(H,46,56)/q-1/p+1/b11-10+,16-15+,21-12-,47-45+
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n/an/a 0.0000500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027110
PNG
(26-formyl-2,15,17,29-tetrahydroxy-11-methoxy-3,7,1...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(C=O)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:24,t:3,26|
Show InChI InChI=1S/C38H47NO12/c1-17-11-10-12-18(2)37(47)39-29-24(16-40)15-25-27(33(29)45)32(44)22(6)35-28(25)36(46)38(8,51-35)49-14-13-26(48-9)19(3)34(50-23(7)41)21(5)31(43)20(4)30(17)42/h10-17,19-21,26,30-31,34,42-45H,1-9H3,(H,39,47)/b11-10+,14-13+,18-12-
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n/an/a 0.000104n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027129
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCN(Cc5cccc(OC)c5)CC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:41,t:3,43|
Show InChI InChI=1S/C50H64N4O12/c1-27-13-11-14-28(2)49(61)52-41-35(25-51-54-20-18-53(19-21-54)26-34-15-12-16-36(23-34)62-9)24-37-39(45(41)59)44(58)32(6)47-40(37)48(60)50(8,66-47)64-22-17-38(63-10)29(3)46(65-33(7)55)31(5)43(57)30(4)42(27)56/h11-17,22-25,27,29-31,38,42-43,46,56-59H,18-21,26H2,1-10H3,(H,52,61)/b13-11+,22-17+,28-14-,51-25+
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027119
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:32,t:3,34|
Show InChI InChI=1S/C43H58N4O11/c1-22-12-11-13-23(2)42(54)45-34-29(21-44-47-17-15-46(9)16-18-47)20-30-32(38(34)52)37(51)27(6)40-33(30)41(53)43(8,58-40)56-19-14-31(55-10)24(3)39(57-28(7)48)26(5)36(50)25(4)35(22)49/h11-14,19-22,24-26,31,35-36,39,49-52H,15-18H2,1-10H3,(H,45,54)/b12-11+,19-14+,23-13-,44-21+
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027116
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:30,t:3,32|
Show InChI InChI=1S/C42H55N3O11/c1-21-13-12-14-22(2)41(52)44-33-28(20-43-45-16-10-11-17-45)19-29-31(37(33)50)36(49)26(6)39-32(29)40(51)42(8,56-39)54-18-15-30(53-9)23(3)38(55-27(7)46)25(5)35(48)24(4)34(21)47/h12-15,18-21,23-25,30,34-35,38,47-50H,10-11,16-17H2,1-9H3,(H,44,52)/b13-12+,18-15+,22-14-,43-20+
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027117
PNG
(2,15,17,26,29-pentahydroxy-11-methoxy-3,7,12,14,16...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(O)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:23,t:3,25|
Show InChI InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-28-24(40)15-23-26(32(28)44)31(43)21(6)34-27(23)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-
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n/an/a 0.000370n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027122
PNG
(2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2ccc(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:22,t:3,24|
Show InChI InChI=1S/C37H47NO11/c1-17-11-10-12-18(2)36(45)38-25-14-13-24-27(32(25)43)31(42)22(6)34-28(24)35(44)37(8,49-34)47-16-15-26(46-9)19(3)33(48-23(7)39)21(5)30(41)20(4)29(17)40/h10-17,19-21,26,29-30,33,40-43H,1-9H3,(H,38,45)/b11-10+,16-15+,18-12-
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027118
PNG
(26-diethylaminomethyl-2,15,17,29-tetrahydroxy-11-m...)
Show SMILES CCN(CC)Cc1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4 |c:31,t:33,55|
Show InChI InChI=1S/C42H58N2O11/c1-12-44(13-2)20-28-19-29-31-36(48)26(8)39-32(29)40(50)42(10,55-39)53-18-17-30(52-11)23(5)38(54-27(9)45)25(7)35(47)24(6)34(46)21(3)15-14-16-22(4)41(51)43-33(28)37(31)49/h14-19,21,23-25,30,34-35,38,46-49H,12-13,20H2,1-11H3,(H,43,51)/b15-14+,18-17+,22-16-
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Mus musculus)
BDBM50027127
PNG
(26-hexahydro-1-pyrazinylmethyl-2,15,17,29-tetrahyd...)
Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(CN4CCNCC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:30,t:3,32|
Show InChI InChI=1S/C42H57N3O11/c1-21-11-10-12-22(2)41(52)44-33-28(20-45-16-14-43-15-17-45)19-29-31(37(33)50)36(49)26(6)39-32(29)40(51)42(8,56-39)54-18-13-30(53-9)23(3)38(55-27(7)46)25(5)35(48)24(4)34(21)47/h10-13,18-19,21,23-25,30,34-35,38,43,47-50H,14-17,20H2,1-9H3,(H,44,52)/b11-10+,18-13+,22-12-
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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit mouse beta DNA polymerase


J Med Chem 23: 256-61 (1980)


BindingDB Entry DOI: 10.7270/Q2XD10PG
More data for this
Ligand-Target Pair
DNA polymerase gamma subunit 1


(Homo sapiens (Human))
BDBM50408427
PNG
(CHEMBL483492)
Show SMILES Cc1cn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)nc1N |r|
Show InChI InChI=1S/C10H17FN3O12P3/c1-5-3-14(10(15)13-9(5)12)8-2-6(11)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8H,2,4H2,1H3,(H,19,20)(H,21,22)(H2,12,13,15)(H2,16,17,18)/t6-,7+,8+/m1/s1
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Max-Delbr�ck-Centrum f�r Molekulare Medizin

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of cellular DNA polymerase (gamma)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
BindingDB Entry DOI: 10.7270/Q2FT8MQT
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50408425
PNG
(CHEMBL2092835)
Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Max-Delbr�ck-Centrum f�r Molekulare Medizin

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of cellular DNA polymerase (beta)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
BindingDB Entry DOI: 10.7270/Q2FT8MQT
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50408425
PNG
(CHEMBL2092835)
Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Max-Delbr�ck-Centrum f�r Molekulare Medizin

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of cellular DNA polymerase (beta)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
BindingDB Entry DOI: 10.7270/Q2FT8MQT
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 |r|
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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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DNA polymerase beta in absence of bovine serum albumin


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


(Homo sapiens (Human))
BDBM50241922
PNG
(CHEMBL486991 | ddCTP SODIUM | sodium ((2S,5R)-5-(4...)
Show SMILES Nc1ccn([C@H]2CC[C@@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H16N3O12P3/c10-7-3-4-12(9(13)11-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/p-1/t6-,8+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Center for Scientific Research (CNRS)-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry


J Nat Prod 68: 979-84 (2005)


Article DOI: 10.1021/np049676o
BindingDB Entry DOI: 10.7270/Q2VT1RVB
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50164648
PNG
(2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1840-1847 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.037
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase gamma subunit 1


(Homo sapiens (Human))
BDBM50408426
PNG
(CHEMBL2092833)
Show SMILES Cc1cn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16FN2O13P3/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8H,2,4H2,1H3,(H,19,20)(H,21,22)(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Max-Delbr�ck-Centrum f�r Molekulare Medizin

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of cellular DNA polymerase (gamma)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
BindingDB Entry DOI: 10.7270/Q2FT8MQT
More data for this
Ligand-Target Pair
DNA polymerase gamma subunit 1


(Homo sapiens (Human))
BDBM50408426
PNG
(CHEMBL2092833)
Show SMILES Cc1cn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16FN2O13P3/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8H,2,4H2,1H3,(H,19,20)(H,21,22)(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Max-Delbr�ck-Centrum f�r Molekulare Medizin

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of cellular DNA polymerase (gamma)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
BindingDB Entry DOI: 10.7270/Q2FT8MQT
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50335554
PNG
(({[({[2-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)e...)
Show SMILES Nc1nc2n(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H14N5O11P3/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-22-4-25(15,16)23-27(20,21)24-26(17,18)19/h3H,1-2,4H2,(H,15,16)(H,20,21)(H2,17,18,19)(H3,9,11,12,14)
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n/an/a 1.60E+3n/an/an/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta by microplate reader analysis


Antimicrob Agents Chemother 53: 2777-84 (2009)


Article DOI: 10.1128/AAC.00103-09
BindingDB Entry DOI: 10.7270/Q2M32W2N
More data for this
Ligand-Target Pair
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