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Compile Data Set for Download or QSAR

Found 180 hits of ic50 for UniProtKB: P06746   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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
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
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 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
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50184757
PNG
((3aR,4R,7S,7aS)-7-ethyl 2,4-dimethyl 3,5-dihexadec...)
Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)OCC |c:16,48|
Show InChI InChI=1S/C48H82O7/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-40(46(50)55-8-3)43-42(41(38)47(51)53-4)39(44(45(43)49)48(52)54-5)36-34-32-30-28-26-24-22-20-18-16-14-12-10-7-2/h37,40-43H,6-36H2,1-5H3/t40-,41-,42-,43+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


Bioorg Med Chem Lett 16: 2877-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.005
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50292441
PNG
(1beta-hydroxyaleuritolic acid 3-p-hydroxybenzoate ...)
Show SMILES CC1(C)CC[C@@]2(CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@H](C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C1)OC(=O)c1ccc(O)cc1)C(O)=O |r,t:7|
Show InChI InChI=1S/C37H52O6/c1-32(2)18-19-37(31(41)42)17-14-25-34(5)15-12-24-33(3,4)29(43-30(40)22-8-10-23(38)11-9-22)20-28(39)36(24,7)26(34)13-16-35(25,6)27(37)21-32/h8-11,14,24,26-29,38-39H,12-13,15-21H2,1-7H3,(H,41,42)/t24-,26-,27+,28+,29-,34-,35+,36-,37+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


J Nat Prod 58: 1024-1031 (1995)


Article DOI: 10.1021/np50121a006
More data for this
Ligand-Target Pair
DNA polymerase beta


(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 2.20E+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
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50184758
PNG
((3aS,4S,7R,7aR)-1,6-didodecyl-2,7-bis(methoxycarbo...)
Show SMILES CCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCC)=C[C@@H]2C(O)=O |c:12,40|
Show InChI InChI=1S/C38H62O7/c1-5-7-9-11-13-15-17-19-21-23-25-28-27-30(36(40)41)33-32(31(28)37(42)44-3)29(34(35(33)39)38(43)45-4)26-24-22-20-18-16-14-12-10-8-6-2/h27,30-33H,5-26H2,1-4H3,(H,40,41)/t30-,31-,32-,33+/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


Bioorg Med Chem Lett 16: 2877-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.005
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50184756
PNG
((3aR,4S,7S,7aS)-7-ethyl 2,4-dimethyl 3,5-dihexadec...)
Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)OCC |c:16,48|
Show InChI InChI=1S/C48H82O7/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-40(46(50)55-8-3)43-42(41(38)47(51)53-4)39(44(45(43)49)48(52)54-5)36-34-32-30-28-26-24-22-20-18-16-14-12-10-7-2/h37,40-43H,6-36H2,1-5H3/t40-,41+,42-,43+/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


Bioorg Med Chem Lett 16: 2877-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.005
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 3.00E+3n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


J Nat Prod 74: 1201-6 (2011)


Article DOI: 10.1021/np200118q
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50184755
PNG
((3aS,4S,7R,7aR)-1,6-dihexadecyl-2,7-bis(methoxycar...)
Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(O)=O |c:16,48|
Show InChI InChI=1S/C46H78O7/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-35-38(44(48)49)41-40(39(36)45(50)52-3)37(42(43(41)47)46(51)53-4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h35,38-41H,5-34H2,1-4H3,(H,48,49)/t38-,39-,40-,41+/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


Bioorg Med Chem Lett 16: 2877-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.005
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50184752
PNG
((3aS,4S,7R,7aR)-1,6-dihexadecyl-2,7-bis(isopropoxy...)
Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC(C)C)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC(C)C)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(O)=O |c:16,52|
Show InChI InChI=1S/C50H86O7/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-37-42(48(52)53)45-44(43(40)49(54)56-38(3)4)41(46(47(45)51)50(55)57-39(5)6)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h37-39,42-45H,7-36H2,1-6H3,(H,52,53)/t42-,43-,44-,45+/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


Bioorg Med Chem Lett 16: 2877-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.005
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50250356
PNG
((+)-protolichesterinic acid | CHEMBL490329 | proto...)
Show SMILES CCCCCCCCCCCCC[C@@H]1OC(=O)C(=C)[C@H]1C(O)=O |r|
Show InChI InChI=1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h16-17H,2-14H2,1H3,(H,20,21)/t16-,17+/m0/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


J Nat Prod 58: 1024-1031 (1995)


Article DOI: 10.1021/np50121a006
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50184761
PNG
((3aR,4R,7S,7aS)-dimethyl 3,5-dihexadecyl-1-oxo-7-(...)
Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)NCCc1ccccc1 |c:16,48|
Show InChI InChI=1S/C54H87NO6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-44-42-46(52(57)55-41-40-43-36-32-31-33-37-43)49-48(47(44)53(58)60-3)45(50(51(49)56)54(59)61-4)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-33,36-37,42,46-49H,5-30,34-35,38-41H2,1-4H3,(H,55,57)/t46-,47-,48-,49+/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


Bioorg Med Chem Lett 16: 2877-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.005
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50184748
PNG
((2S,3S,4R)-methyl 2-ethyl-4-hydroxy-5-(2-oxononade...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1CCc1ccccc1)C(=O)OC |w:19.18|
Show InChI InChI=1S/C35H57NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-30(37)28-32-34(38)33(35(39)40-3)31(5-2)36(32)27-26-29-23-20-19-21-24-29/h19-21,23-24,28,31,33-34,38H,4-18,22,25-27H2,1-3H3/t31-,33-,34-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


Bioorg Med Chem Lett 16: 2877-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.005
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
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
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50184754
PNG
((E)-methyl-3,6-dioxo-4-docosenoate | CHEMBL425779)
Show SMILES CCCCCCCCCCCCCCCCC(=O)C=CC(=O)CC(=O)OC |w:18.17|
Show InChI InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)18-19-22(25)20-23(26)27-2/h18-19H,3-17,20H2,1-2H3
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n/an/a 8.80E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


Bioorg Med Chem Lett 16: 2877-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.005
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50184750
PNG
((2R,3S,4R)-4-hydroxy-5-[2-oxo-nonadec-ylidene]-1-p...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@@H](N1CCc1ccccc1)c1ccccc1)C(=O)OC |w:19.18|
Show InChI InChI=1S/C39H57NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-34(41)31-35-38(42)36(39(43)44-2)37(33-26-21-18-22-27-33)40(35)30-29-32-24-19-17-20-25-32/h17-22,24-27,31,36-38,42H,3-16,23,28-30H2,1-2H3/t36-,37-,38-/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


Bioorg Med Chem Lett 16: 2877-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.005
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM38549
PNG
(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)
Show SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O
Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta (unknown origin)


J Med Chem 56: 5182-97 (2013)


Article DOI: 10.1021/jm400587g
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50191511
PNG
(2-{4-[4'-chloro-4-(2-oxo-pyrrolidin-1-yl)-biphenyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)N2CCCC2=O)cc1F
Show InChI InChI=1S/C37H33ClFN3O4/c38-26-11-8-23(9-12-26)30-15-13-28(41-18-4-7-35(41)43)19-25(30)22-46-29-14-16-31(32(39)21-29)36-40-33-20-24(37(44)45)10-17-34(33)42(36)27-5-2-1-3-6-27/h8-17,19-21,27H,1-7,18,22H2,(H,44,45)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50181938
PNG
(1-Cyclohexyl-2-[2-fluoro-4-(phenyl-pyridin-3-yl-me...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2cccnc2)cc1F
Show InChI InChI=1S/C32H28FN3O3/c33-27-19-25(39-30(21-8-3-1-4-9-21)23-10-7-17-34-20-23)14-15-26(27)31-35-28-18-22(32(37)38)13-16-29(28)36(31)24-11-5-2-6-12-24/h1,3-4,7-10,13-20,24,30H,2,5-6,11-12H2,(H,37,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase beta


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50181932
PNG
(2-(4-(bis(4-chlorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C33H28Cl2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase beta


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50181933
PNG
(2-(4-(bis(4-fluorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H28F2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase beta


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50181935
PNG
(1-Cyclohexyl-2-[4-(di-pyridin-3-yl-methoxy)-2-fluo...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2cccnc2)c2cccnc2)cc1F
Show InChI InChI=1S/C31H27FN4O3/c32-26-17-24(39-29(21-6-4-14-33-18-21)22-7-5-15-34-19-22)11-12-25(26)30-35-27-16-20(31(37)38)10-13-28(27)36(30)23-8-2-1-3-9-23/h4-7,10-19,23,29H,1-3,8-9H2,(H,37,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase beta


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50181929
PNG
(1-cyclohexyl-2-(4-(dip-tolylmethoxy)phenyl)-1H-ben...)
Show SMILES Cc1ccc(cc1)C(Oc1ccc(cc1)-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C35H34N2O3/c1-23-8-12-25(13-9-23)33(26-14-10-24(2)11-15-26)40-30-19-16-27(17-20-30)34-36-31-22-28(35(38)39)18-21-32(31)37(34)29-6-4-3-5-7-29/h8-22,29,33H,3-7H2,1-2H3,(H,38,39)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase beta


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50184759
PNG
((2R,3S,4R)-methyl 1-(2-(1H-indol-3-yl)ethyl)-4-hyd...)
Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@@H](N1CCc1c[nH]c2ccccc12)c1ccccc1)C(=O)OC |w:14.13|
Show InChI InChI=1S/C36H48N2O4/c1-3-4-5-6-7-8-9-10-11-15-20-29(39)25-32-35(40)33(36(41)42-2)34(27-18-13-12-14-19-27)38(32)24-23-28-26-37-31-22-17-16-21-30(28)31/h12-14,16-19,21-22,25-26,33-35,37,40H,3-11,15,20,23-24H2,1-2H3/t33-,34-,35-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


Bioorg Med Chem Lett 16: 2877-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.005
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50181922
PNG
(2-(4-(bis(3-fluorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2cccc(F)c2)c2cccc(F)c2)cc1
Show InChI InChI=1S/C33H28F2N2O3/c34-25-8-4-6-22(18-25)31(23-7-5-9-26(35)19-23)40-28-15-12-21(13-16-28)32-36-29-20-24(33(38)39)14-17-30(29)37(32)27-10-2-1-3-11-27/h4-9,12-20,27,31H,1-3,10-11H2,(H,38,39)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase beta


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50181927
PNG
(2-(4-(bis(4-fluorophenyl)methoxy)-2-fluorophenyl)-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1F
Show InChI InChI=1S/C33H27F3N2O3/c34-23-11-6-20(7-12-23)31(21-8-13-24(35)14-9-21)41-26-15-16-27(28(36)19-26)32-37-29-18-22(33(39)40)10-17-30(29)38(32)25-4-2-1-3-5-25/h6-19,25,31H,1-5H2,(H,39,40)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase beta


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50181923
PNG
(2-(4-(benzhydryloxy)phenyl)-1-cyclohexyl-1H-benzo[...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C33H30N2O3/c36-33(37)26-18-21-30-29(22-26)34-32(35(30)27-14-8-3-9-15-27)25-16-19-28(20-17-25)38-31(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-2,4-7,10-13,16-22,27,31H,3,8-9,14-15H2,(H,36,37)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase beta


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50181926
PNG
(2-{4-[Bis-(4-dimethylcarbamoyl-phenyl)-methoxy]-2-...)
Show SMILES CN(C)C(=O)c1ccc(cc1)C(Oc1ccc(-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(F)c1)c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C39H39FN4O5/c1-42(2)37(45)26-14-10-24(11-15-26)35(25-12-16-27(17-13-25)38(46)43(3)4)49-30-19-20-31(32(40)23-30)36-41-33-22-28(39(47)48)18-21-34(33)44(36)29-8-6-5-7-9-29/h10-23,29,35H,5-9H2,1-4H3,(H,47,48)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase beta


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50181941
PNG
(2-(4-(benzhydryloxy)-2-fluorophenyl)-1-cyclohexyl-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2ccccc2)cc1F
Show InChI InChI=1S/C33H29FN2O3/c34-28-21-26(39-31(22-10-4-1-5-11-22)23-12-6-2-7-13-23)17-18-27(28)32-35-29-20-24(33(37)38)16-19-30(29)36(32)25-14-8-3-9-15-25/h1-2,4-7,10-13,16-21,25,31H,3,8-9,14-15H2,(H,37,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase beta


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50241929
PNG
(CHEMBL520861 | Mahureone D)
Show SMILES [#6]-[#6]-[#6]-[#6](-[#6]-[#6](-[#8])=O)-[#6]1=[#6]2-[#8]-[#6](=O)-[#6](-[#6](=O)-[#6]-[#6](-[#6])-[#6])-[#6](=O)C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |c:8|
Show InChI InChI=1S/C32H48O6/c1-10-11-22(17-25(34)35)27-29-32(15-14-20(4)5,18-23(31(27,8)9)13-12-19(2)3)28(36)26(30(37)38-29)24(33)16-21(6)7/h12,14,21-23,26H,10-11,13,15-18H2,1-9H3,(H,34,35)
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n/an/a 1.20E+4n/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
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
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50184753
PNG
((1R,1bR,2R,5S,5aS)-1a,3-dihexadecyl-6-oxo-1a,1b,2,...)
Show SMILES CCCCCCCCCCCCCCCCC1=C[C@@H]([C@@H]2[C@H]([C@H]1C(=O)OC)[C@@]1(CCCCCCCCCCCCCCCC)C[C@@]1(C(=O)OC)C2=O)C(=O)OC |t:16|
Show InChI InChI=1S/C48H82O7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-36-39(44(50)53-3)41-42(40(38)45(51)54-4)47(37-48(47,43(41)49)46(52)55-5)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36,39-42H,6-35,37H2,1-5H3/t39-,40-,41+,42-,47+,48-/m0/s1
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n/an/a>1.25E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


Bioorg Med Chem Lett 16: 2877-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.005
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
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
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50335553
PNG
(CHEMBL1652466 | [({[2-(2-amino-6-oxo-6,9-dihydro-3...)
Show SMILES Nc1nc2n(CCOCP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H13N5O8P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-20-4-22(15,16)21-23(17,18)19/h3H,1-2,4H2,(H,15,16)(H2,17,18,19)(H3,9,11,12,14)
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n/an/a 1.35E+4n/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
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
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50370476
PNG
(Combivir | ZIDOVUDINE TRIPHOSPHATE)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


J Nat Prod 59: 839-42 (1997)


Article DOI: 10.1021/np960399y
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM104089
PNG
((Z)-5-(3-Nitro-4-(o-tolylthio)benzylidene)-2-thiox...)
Show SMILES Cc1ccccc1Sc1ccc(C=C2SC(S)=NC2=O)cc1[N+]([O-])=O |w:12.12,c:17|
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/a7.9n/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
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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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
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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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
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50020676
PNG
(CHEBI:41846 | CHEMBL566812)
Show SMILES Cc1cn([C@H]2CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H17N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Center for AIDS Research, Laboratory of Biochemical Pharmacology, Department of Pediatrics, Emory University School of Medicine , Atlanta, Georgia 30307, United States.

Curated by ChEMBL




J Med Chem 60: 5424-5437 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00067
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


J Nat Prod 58: 1024-1031 (1995)


Article DOI: 10.1021/np50121a006
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50300193
PNG
(2-[3-(1-Benzyl-1H-pyrazol-3-yl)-benzenesulfonylami...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C23H19N3O4S/c27-23(28)21-11-4-5-12-22(21)25-31(29,30)20-10-6-9-18(13-20)19-14-24-26(16-19)15-17-7-2-1-3-8-17/h1-14,16,25H,15H2,(H,27,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


J Med Chem 52: 7934-7 (2009)


Article DOI: 10.1021/jm901044z
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50300194
PNG
(2-[3-(1-Benzyl-1H-pyrazol-3-yl)-benzenesulfonylami...)
Show SMILES OC(=O)c1ccc(F)cc1NS(=O)(=O)c1cccc(c1)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C23H18FN3O4S/c24-19-9-10-21(23(28)29)22(12-19)26-32(30,31)20-8-4-7-17(11-20)18-13-25-27(15-18)14-16-5-2-1-3-6-16/h1-13,15,26H,14H2,(H,28,29)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


J Med Chem 52: 7934-7 (2009)


Article DOI: 10.1021/jm901044z
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50300195
PNG
(4-Fluoro-2-[3-(1-naphthalen-2-ylmethyl-1H-pyrazol-...)
Show SMILES OC(=O)c1ccc(F)cc1NS(=O)(=O)c1cccc(c1)-c1cnn(Cc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C27H20FN3O4S/c28-23-10-11-25(27(32)33)26(14-23)30-36(34,35)24-7-3-6-21(13-24)22-15-29-31(17-22)16-18-8-9-19-4-1-2-5-20(19)12-18/h1-15,17,30H,16H2,(H,32,33)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


J Med Chem 52: 7934-7 (2009)


Article DOI: 10.1021/jm901044z
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50242129
PNG
(3-beta-acetoxy-2-alpha-hydroxyurs-12-en-28-oic aci...)
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](OC(C)=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/C32H50O5/c1-18-11-14-32(27(35)36)16-15-30(7)21(25(32)19(18)2)9-10-24-29(6)17-22(34)26(37-20(3)33)28(4,5)23(29)12-13-31(24,30)8/h9,18-19,22-26,34H,10-17H2,1-8H3,(H,35,36)/t18-,19+,22-,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1
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n/an/a 2.15E+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
More data for this
Ligand-Target Pair
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