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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'hecht' and Initial = 'sm'   
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


(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)
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)
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)
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)
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
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50426389
PNG
(CHEMBL2321925)
Show SMILES CCC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C27H28O12/c1-4-5-18-24(35-12(2)28)26(36-13(3)29)22(34)27(38-18)39-25-21(33)20-17(32)10-16(31)11-19(20)37-23(25)14-6-8-15(30)9-7-14/h6-11,18,22,24,26-27,30-31,33-34H,4-5H2,1-3H3/t18-,22+,24-,26-,27-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using u...


ACS Med Chem Lett 4: 175-179 (2012)


Article DOI: 10.1021/ml300298v
BindingDB Entry DOI: 10.7270/Q2668FHP
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50250996
PNG
(CHEMBL525240 | TANNIN | chebulagic acid | chebulan...)
Show SMILES O[C@H]1[C@H]2[C@H](CC(O)=O)C(=O)O[C@@H]3[C@H]4COC(=O)c5cc(c(O)c(O)c5O)-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]3[C@@H](OC(=O)c3cc(O)c(O)c(OC1=O)c23)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O4 |r|
Show InChI InChI=1S/C41H30O27/c42-14-1-8(2-15(43)25(14)50)35(56)68-41-34-33-31(64-39(60)12(6-19(46)47)21-22-11(38(59)67-34)5-17(45)27(52)32(22)65-40(61)29(21)54)18(63-41)7-62-36(57)13-3-9(23(48)30(55)24(13)49)20-10(37(58)66-33)4-16(44)26(51)28(20)53/h1-5,12,18,21,29,31,33-34,41-45,48-55H,6-7H2,(H,46,47)/t12-,18+,21-,29-,31+,33-,34+,41-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human COLO201 cellular topoisomerase-1 mediated plasmid DNA cleavage by electrophoresis in presence of 14 units of enzyme


J Nat Prod 55: 401-413 (1992)


Article DOI: 10.1021/np50082a001
BindingDB Entry DOI: 10.7270/Q2542NNP
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50250996
PNG
(CHEMBL525240 | TANNIN | chebulagic acid | chebulan...)
Show SMILES O[C@H]1[C@H]2[C@H](CC(O)=O)C(=O)O[C@@H]3[C@H]4COC(=O)c5cc(c(O)c(O)c5O)-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]3[C@@H](OC(=O)c3cc(O)c(O)c(OC1=O)c23)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O4 |r|
Show InChI InChI=1S/C41H30O27/c42-14-1-8(2-15(43)25(14)50)35(56)68-41-34-33-31(64-39(60)12(6-19(46)47)21-22-11(38(59)67-34)5-17(45)27(52)32(22)65-40(61)29(21)54)18(63-41)7-62-36(57)13-3-9(23(48)30(55)24(13)49)20-10(37(58)66-33)4-16(44)26(51)28(20)53/h1-5,12,18,21,29,31,33-34,41-45,48-55H,6-7H2,(H,46,47)/t12-,18+,21-,29-,31+,33-,34+,41-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human COLO201 cellular topoisomerase-1 mediated plasmid DNA cleavage by electrophoresis in presence of 70 units of enzyme


J Nat Prod 55: 401-413 (1992)


Article DOI: 10.1021/np50082a001
BindingDB Entry DOI: 10.7270/Q2542NNP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50426392
PNG
(CHEMBL2326706)
Show SMILES CC(C)C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H26O10/c1-10(2)7-16-18(28)20(30)21(31)24(33-16)34-23-19(29)17-14(27)8-13(26)9-15(17)32-22(23)11-3-5-12(25)6-4-11/h3-6,8-10,16,18,20-21,24-26,28-31H,7H2,1-2H3/t16-,18-,20+,21+,24-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using u...


ACS Med Chem Lett 4: 175-179 (2012)


Article DOI: 10.1021/ml300298v
BindingDB Entry DOI: 10.7270/Q2668FHP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50426390
PNG
(CHEMBL2326708)
Show SMILES CCC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C27H28O12/c1-4-5-18-24(35-12(2)28)22(34)26(36-13(3)29)27(38-18)39-25-21(33)20-17(32)10-16(31)11-19(20)37-23(25)14-6-8-15(30)9-7-14/h6-11,18,22,24,26-27,30-31,33-34H,4-5H2,1-3H3/t18-,22+,24-,26+,27-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using u...


ACS Med Chem Lett 4: 175-179 (2012)


Article DOI: 10.1021/ml300298v
BindingDB Entry DOI: 10.7270/Q2668FHP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50426393
PNG
(CHEMBL2326705)
Show SMILES CCC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C23H24O10/c1-2-3-14-17(27)19(29)20(30)23(32-14)33-22-18(28)16-13(26)8-12(25)9-15(16)31-21(22)10-4-6-11(24)7-5-10/h4-9,14,17,19-20,23-25,27-30H,2-3H2,1H3/t14-,17-,19+,20+,23-/m0/s1
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n/an/a 710n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using u...


ACS Med Chem Lett 4: 175-179 (2012)


Article DOI: 10.1021/ml300298v
BindingDB Entry DOI: 10.7270/Q2668FHP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50241294
PNG
(CHEMBL240954 | SL-0101 | kaempferol 3-O-(3'',4''-d...)
Show SMILES C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-29,31-32H,1-3H3/t10-,20+,21-,24-,25-/m0/s1
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n/an/a 990n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using u...


ACS Med Chem Lett 4: 175-179 (2012)


Article DOI: 10.1021/ml300298v
BindingDB Entry DOI: 10.7270/Q2668FHP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50426391
PNG
(CHEMBL2326707)
Show SMILES CCC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C25H26O11/c1-3-4-16-23(33-11(2)26)20(31)21(32)25(35-16)36-24-19(30)18-15(29)9-14(28)10-17(18)34-22(24)12-5-7-13(27)8-6-12/h5-10,16,20-21,23,25,27-28,30-32H,3-4H2,1-2H3/t16-,20-,21+,23-,25-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using u...


ACS Med Chem Lett 4: 175-179 (2012)


Article DOI: 10.1021/ml300298v
BindingDB Entry DOI: 10.7270/Q2668FHP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50426394
PNG
(CHEMBL2326704)
Show SMILES CC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H22O10/c1-2-13-16(26)18(28)19(29)22(31-13)32-21-17(27)15-12(25)7-11(24)8-14(15)30-20(21)9-3-5-10(23)6-4-9/h3-8,13,16,18-19,22-24,26-29H,2H2,1H3/t13-,16-,18+,19+,22-/m0/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using u...


ACS Med Chem Lett 4: 175-179 (2012)


Article DOI: 10.1021/ml300298v
BindingDB Entry DOI: 10.7270/Q2668FHP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50426388
PNG
(CHEMBL2326709)
Show SMILES CCC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C29H30O13/c1-5-6-20-25(37-13(2)30)27(38-14(3)31)28(39-15(4)32)29(41-20)42-26-23(36)22-19(35)11-18(34)12-21(22)40-24(26)16-7-9-17(33)10-8-16/h7-12,20,25,27-29,33-34,36H,5-6H2,1-4H3/t20-,25-,27+,28+,29-/m0/s1
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n/an/a 1.77E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using u...


ACS Med Chem Lett 4: 175-179 (2012)


Article DOI: 10.1021/ml300298v
BindingDB Entry DOI: 10.7270/Q2668FHP
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50259787
PNG
(3-trans-p-coumaroyl maslinic acid | CHEMBL453751)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)\C=C\c6ccccc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C39H54O5/c1-34(2)19-21-39(33(42)43)22-20-37(6)26(27(39)23-34)14-15-30-36(5)24-28(40)32(35(3,4)29(36)17-18-38(30,37)7)44-31(41)16-13-25-11-9-8-10-12-25/h8-14,16,27-30,32,40H,15,17-24H2,1-7H3,(H,42,43)/b16-13+/t27-,28+,29-,30+,32-,36-,37+,38+,39-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta in absence of BSA


J Nat Prod 62: 1660-3 (2000)


BindingDB Entry DOI: 10.7270/Q2QF8SNP
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50259782
PNG
(3beta-hydroxyrus-18,20(30)-dien-28-oic acid | CHEM...)
Show SMILES CC1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CCC1=C)C(O)=O |r,c:1|
Show InChI InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h20-23,31H,1,8-17H2,2-7H3,(H,32,33)/t20-,21+,22-,23+,27+,28-,29-,30+/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta in absence of BSA


J Nat Prod 62: 1624-6 (2000)


BindingDB Entry DOI: 10.7270/Q2V69JBZ
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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n/an/a 2.70E+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


(Rattus norvegicus)
BDBM50250305
PNG
(3alpha-O-trans-p-coumaroyl-7-labden-15-oic acid | ...)
Show SMILES C[C@@H](CC[C@@H]1[C@H]2CC[C@H](OC(=O)\C=C\c3ccc(O)cc3)C(C)(C)[C@@H]2CC=C1C)CC(O)=O |r,c:28|
Show InChI InChI=1S/C28H38O5/c1-18(17-26(30)31)5-12-22-19(2)6-14-24-23(22)13-15-25(28(24,3)4)33-27(32)16-9-20-7-10-21(29)11-8-20/h6-11,16,18,22-25,29H,5,12-15,17H2,1-4H3,(H,30,31)/b16-9+/t18-,22-,23+,24+,25-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta in absence of BSA


J Nat Prod 62: 1000-2 (1999)


Article DOI: 10.1021/np990099r
BindingDB Entry DOI: 10.7270/Q2RF5TRM
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50259781
PNG
(3beta-hydroxyrus-12,19(29)-dien-28-oic acid | CHEM...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1=C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18,21-24,31H,2,9-17H2,1,3-7H3,(H,32,33)/t18-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta in absence of BSA


J Nat Prod 62: 1624-6 (2000)


BindingDB Entry DOI: 10.7270/Q2V69JBZ
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50079577
PNG
((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O |c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22?,23-,27-,28+,29+,30-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta in absence of BSA


J Nat Prod 62: 1624-6 (2000)


BindingDB Entry DOI: 10.7270/Q2V69JBZ
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50259787
PNG
(3-trans-p-coumaroyl maslinic acid | CHEMBL453751)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)\C=C\c6ccccc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C39H54O5/c1-34(2)19-21-39(33(42)43)22-20-37(6)26(27(39)23-34)14-15-30-36(5)24-28(40)32(35(3,4)29(36)17-18-38(30,37)7)44-31(41)16-13-25-11-9-8-10-12-25/h8-14,16,27-30,32,40H,15,17-24H2,1-7H3,(H,42,43)/b16-13+/t27-,28+,29-,30+,32-,36-,37+,38+,39-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta in presence of 0.1 mg/mL BSA


J Nat Prod 62: 1660-3 (2000)


BindingDB Entry DOI: 10.7270/Q2QF8SNP
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 4.30E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DNA polymerase beta in presence 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


(Rattus norvegicus)
BDBM50250305
PNG
(3alpha-O-trans-p-coumaroyl-7-labden-15-oic acid | ...)
Show SMILES C[C@@H](CC[C@@H]1[C@H]2CC[C@H](OC(=O)\C=C\c3ccc(O)cc3)C(C)(C)[C@@H]2CC=C1C)CC(O)=O |r,c:28|
Show InChI InChI=1S/C28H38O5/c1-18(17-26(30)31)5-12-22-19(2)6-14-24-23(22)13-15-25(28(24,3)4)33-27(32)16-9-20-7-10-21(29)11-8-20/h6-11,16,18,22-25,29H,5,12-15,17H2,1-4H3,(H,30,31)/b16-9+/t18-,22-,23+,24+,25-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta in presence of BSA


J Nat Prod 62: 1000-2 (1999)


Article DOI: 10.1021/np990099r
BindingDB Entry DOI: 10.7270/Q2RF5TRM
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta in absence of BSA


J Nat Prod 62: 1624-6 (2000)


BindingDB Entry DOI: 10.7270/Q2V69JBZ
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50259781
PNG
(3beta-hydroxyrus-12,19(29)-dien-28-oic acid | CHEM...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1=C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18,21-24,31H,2,9-17H2,1,3-7H3,(H,32,33)/t18-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta in presence of BSA


J Nat Prod 62: 1624-6 (2000)


BindingDB Entry DOI: 10.7270/Q2V69JBZ
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50259782
PNG
(3beta-hydroxyrus-18,20(30)-dien-28-oic acid | CHEM...)
Show SMILES CC1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CCC1=C)C(O)=O |r,c:1|
Show InChI InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h20-23,31H,1,8-17H2,2-7H3,(H,32,33)/t20-,21+,22-,23+,27+,28-,29-,30+/m1/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta in presence of BSA


J Nat Prod 62: 1624-6 (2000)


BindingDB Entry DOI: 10.7270/Q2V69JBZ
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50203241
PNG
(1, 3-dihydroxy-5-[14'-(3' ',5' '-dihydroxyphenyl)t...)
Show SMILES Oc1cc(O)cc(CCCCCCCCCCCCCCc2cc(O)cc(O)c2)c1
Show InChI InChI=1S/C26H38O4/c27-23-15-21(16-24(28)19-23)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22-17-25(29)20-26(30)18-22/h15-20,27-30H,1-14H2
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n/an/a 5.80E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta assessed as [3H]TTP incorporation after 60 mins by scintillation counting in presence of bovine serum albumin


J Nat Prod 62: 477-80 (1999)


Article DOI: 10.1021/np980522g
BindingDB Entry DOI: 10.7270/Q20Z731M
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM23208
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,...)
Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta in absence of BSA


J Nat Prod 62: 1660-3 (2000)


BindingDB Entry DOI: 10.7270/Q2QF8SNP
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50241611
PNG
(1, 3-dihydroxy-5-[14'-(3' ',5' '-dihydroxyphenyl)-...)
Show SMILES Oc1cc(O)cc(CCCCCC\C=C/CCCCCCc2cc(O)cc(O)c2)c1
Show InChI InChI=1S/C26H36O4/c27-23-15-21(16-24(28)19-23)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22-17-25(29)20-26(30)18-22/h1-2,15-20,27-30H,3-14H2/b2-1-
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta assessed as [3H]TTP incorporation after 60 mins by scintillation counting in presence of bovine serum albumin


J Nat Prod 62: 477-80 (1999)


Article DOI: 10.1021/np980522g
BindingDB Entry DOI: 10.7270/Q20Z731M
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50079577
PNG
((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O |c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22?,23-,27-,28+,29+,30-/m0/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta in presence of BSA


J Nat Prod 62: 1624-6 (2000)


BindingDB Entry DOI: 10.7270/Q2V69JBZ
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50259786
PNG
(3-cis-p-coumaroyl maslinic acid | CHEMBL463995)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)\C=C/c6ccccc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C39H54O5/c1-34(2)19-21-39(33(42)43)22-20-37(6)26(27(39)23-34)14-15-30-36(5)24-28(40)32(35(3,4)29(36)17-18-38(30,37)7)44-31(41)16-13-25-11-9-8-10-12-25/h8-14,16,27-30,32,40H,15,17-24H2,1-7H3,(H,42,43)/b16-13-/t27-,28+,29-,30+,32-,36-,37+,38+,39-/m0/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta in absence of BSA


J Nat Prod 62: 1660-3 (2000)


BindingDB Entry DOI: 10.7270/Q2QF8SNP
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50241610
PNG
(1,3-dihydroxy-5-[14'-(3' ',5' '-dihydroxyphenyl)-c...)
Show SMILES Oc1cc(O)cc(CCCCCCCCC\C=C/CCCc2cc(O)cc(O)c2)c1
Show InChI InChI=1S/C26H36O4/c27-23-15-21(16-24(28)19-23)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22-17-25(29)20-26(30)18-22/h5,7,15-20,27-30H,1-4,6,8-14H2/b7-5-
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta assessed as [3H]TTP incorporation after 60 mins by scintillation counting in presence of bovine serum albumin


J Nat Prod 62: 477-80 (1999)


Article DOI: 10.1021/np980522g
BindingDB Entry DOI: 10.7270/Q20Z731M
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta in presence of BSA


J Nat Prod 62: 1624-6 (2000)


BindingDB Entry DOI: 10.7270/Q2V69JBZ
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta lyase activity by deoxyribose phosphate excision assay


J Nat Prod 66: 1463-5 (2003)


Article DOI: 10.1021/np0301893
BindingDB Entry DOI: 10.7270/Q2K35VJB
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50079577
PNG
((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O |c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22?,23-,27-,28+,29+,30-/m0/s1
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n/an/a 8.80E+3n/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: 964-7 (2004)


Article DOI: 10.1021/np030507y
BindingDB Entry DOI: 10.7270/Q2FQ9WDF
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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n/an/a 9.70E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DNA polymerase beta after 60 mins


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)
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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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DNA polymerase beta in presence 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))
BDBM50242105
PNG
(CHEMBL470873 | armenin-B)
Show SMILES CO[C@@H]1C[C@]2(CC=C)[C@H](C)[C@H](OC2=C(OC)C1=O)c1ccc2OCOc2c1 |r,t:13|
Show InChI InChI=1S/C21H24O6/c1-5-8-21-10-16(23-3)17(22)19(24-4)20(21)27-18(12(21)2)13-6-7-14-15(9-13)26-11-25-14/h5-7,9,12,16,18H,1,8,10-11H2,2-4H3/t12-,16-,18+,21-/m1/s1
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n/an/a 1.23E+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: 964-7 (2004)


Article DOI: 10.1021/np030507y
BindingDB Entry DOI: 10.7270/Q2FQ9WDF
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50222205
PNG
((1S,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 1.26E+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 (Human))
BDBM50250720
PNG
(3beta,16beta,23-triacetoxyolean-12-en-28-oic acid ...)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@@]3([C@H](C[C@@]12C)OC(C)=O)C(O)=O)OC(C)=O |r,t:21|
Show InChI InChI=1S/C36H54O8/c1-21(37)42-20-33(7)26-12-15-34(8)27(32(26,6)14-13-28(33)43-22(2)38)11-10-24-25-18-31(4,5)16-17-36(25,30(40)41)29(44-23(3)39)19-35(24,34)9/h10,25-29H,11-20H2,1-9H3,(H,40,41)/t25-,26+,27+,28-,29-,32-,33-,34+,35+,36+/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta lyase activity by deoxyribose phosphate excision assay


J Nat Prod 66: 1463-5 (2003)


Article DOI: 10.1021/np0301893
BindingDB Entry DOI: 10.7270/Q2K35VJB
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM23208
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,...)
Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta in presence of 0.1 mg/mL BSA


J Nat Prod 62: 1660-3 (2000)


BindingDB Entry DOI: 10.7270/Q2QF8SNP
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50259786
PNG
(3-cis-p-coumaroyl maslinic acid | CHEMBL463995)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)\C=C/c6ccccc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C39H54O5/c1-34(2)19-21-39(33(42)43)22-20-37(6)26(27(39)23-34)14-15-30-36(5)24-28(40)32(35(3,4)29(36)17-18-38(30,37)7)44-31(41)16-13-25-11-9-8-10-12-25/h8-14,16,27-30,32,40H,15,17-24H2,1-7H3,(H,42,43)/b16-13-/t27-,28+,29-,30+,32-,36-,37+,38+,39-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta in presence of 0.1 mg/mL BSA


J Nat Prod 62: 1660-3 (2000)


BindingDB Entry DOI: 10.7270/Q2QF8SNP
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50242088
PNG
((7S,8R,1'S,5'S,6'R)-delta 2',8'-5',6'-Dihydroxy-3'...)
Show SMILES COC1=C[C@]2(CC=C)[C@H](C)[C@@H](c3ccc4OCOc4c3)[C@](O)([C@@H]2O)C1=O |r,t:2,TLB:23:22:10.8:3.24.2|
Show InChI InChI=1S/C20H22O6/c1-4-7-19-9-15(24-3)17(21)20(23,18(19)22)16(11(19)2)12-5-6-13-14(8-12)26-10-25-13/h4-6,8-9,11,16,18,22-23H,1,7,10H2,2-3H3/t11-,16+,18-,19-,20-/m1/s1
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n/an/a 1.53E+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: 964-7 (2004)


Article DOI: 10.1021/np030507y
BindingDB Entry DOI: 10.7270/Q2FQ9WDF
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50250362
PNG
(3-Oximo-olean-12-en-29-oic acid | CHEMBL490347)
Show SMILES CC1(C)C(CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)N=O |r,t:17|
Show InChI InChI=1S/C30H47NO3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31-34)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23?,26+,27+,28-,29+,30+/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Virginia Charlottesville

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta


J Nat Prod 62: 1110-3 (1999)


Article DOI: 10.1021/np990104r
BindingDB Entry DOI: 10.7270/Q2C8293M
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM23417
PNG
(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
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n/an/a 1.85E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of lyase activity of rat DNA polymerase beta after 30 mins by deoxyribose phosphate excision assay


J Nat Prod 67: 1744-7 (2004)


Article DOI: 10.1021/np040057p
BindingDB Entry DOI: 10.7270/Q2251K28
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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Article
PubMed
n/an/a 1.86E+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 (Human))
BDBM50242090
PNG
(2,4-Dimethoxy-5,6-methylenedioxy-1-(2-propenyl)ben...)
Show SMILES COc1cc(OC)c(CC=C)c2OCOc12
Show InChI InChI=1S/C12H14O4/c1-4-5-8-9(13-2)6-10(14-3)12-11(8)15-7-16-12/h4,6H,1,5,7H2,2-3H3
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PubMed
n/an/a 1.86E+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: 964-7 (2004)


Article DOI: 10.1021/np030507y
BindingDB Entry DOI: 10.7270/Q2FQ9WDF
More data for this
Ligand-Target Pair
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