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Compile Data Set for Download or QSAR

Found 202 hits Enz. Inhib. hit(s) with Target = 'DNA polymerase (alpha/delta/epsilon)'   
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 (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50231343
PNG
(CHEMBL119038)
Show SMILES COc1cc2c(CC[C@H]3[C@@](C)(CCC[C@]23C)C(O)=O)cc1CO
Show InChI InChI=1S/C19H26O4/c1-18-7-4-8-19(2,17(21)22)16(18)6-5-12-9-13(11-20)15(23-3)10-14(12)18/h9-10,16,20H,4-8,11H2,1-3H3,(H,21,22)/t16-,18-,19-/m1/s1
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n/an/an/an/a 0n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


Article DOI: 10.1021/jm00075a003
BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50231344
PNG
(CHEMBL334214)
Show SMILES COc1ccc2CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]3(C)c2c1
Show InChI InChI=1S/C18H26O3/c1-17-9-8-16(20)18(2,11-19)15(17)7-5-12-4-6-13(21-3)10-14(12)17/h4,6,10,15-16,19-20H,5,7-9,11H2,1-3H3/t15-,16+,17-,18+/m1/s1
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n/an/an/an/a 0n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


Article DOI: 10.1021/jm00075a003
BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50231388
PNG
(CHEMBL119211)
Show SMILES COc1ccc2CC[C@H]3[C@](C)(CO)[C@H](O)CC[C@]3(C)c2c1
Show InChI InChI=1S/C18H26O3/c1-17-9-8-16(20)18(2,11-19)15(17)7-5-12-4-6-13(21-3)10-14(12)17/h4,6,10,15-16,19-20H,5,7-9,11H2,1-3H3/t15-,16-,17-,18+/m1/s1
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n/an/an/an/a 0n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


Article DOI: 10.1021/jm00075a003
BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50231384
PNG
(CHEMBL331025)
Show SMILES C[C@]1(CCC[C@@]2(C)[C@H]1CCc1cc(CO)c(O)cc21)C(O)=O
Show InChI InChI=1S/C18H24O4/c1-17-6-3-7-18(2,16(21)22)15(17)5-4-11-8-12(10-19)14(20)9-13(11)17/h8-9,15,19-20H,3-7,10H2,1-2H3,(H,21,22)/t15-,17-,18-/m1/s1
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Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


Article DOI: 10.1021/jm00075a003
BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50231386
PNG
(CHEMBL331553)
Show SMILES COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCc1cc(CO)c(OC)cc21
Show InChI InChI=1S/C20H28O4/c1-19-8-5-9-20(2,18(22)24-4)17(19)7-6-13-10-14(12-21)16(23-3)11-15(13)19/h10-11,17,21H,5-9,12H2,1-4H3/t17-,19-,20-/m1/s1
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n/an/an/an/a 0n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


Article DOI: 10.1021/jm00075a003
BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50231345
PNG
(CHEMBL118970)
Show SMILES C[C@@]1(CO)CCC[C@@]2(C)[C@H]1CCc1cc(CO)c(O)cc21
Show InChI InChI=1S/C18H26O3/c1-17(11-20)6-3-7-18(2)14-9-15(21)13(10-19)8-12(14)4-5-16(17)18/h8-9,16,19-21H,3-7,10-11H2,1-2H3/t16-,17-,18+/m0/s1
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n/an/an/an/a 0n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


Article DOI: 10.1021/jm00075a003
BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50231383
PNG
(CHEMBL334229)
Show SMILES C[C@@]1(CO)[C@@H](O)CC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C17H24O3/c1-16-8-7-15(20)17(2,10-18)14(16)6-4-11-3-5-12(19)9-13(11)16/h3,5,9,14-15,18-20H,4,6-8,10H2,1-2H3/t14-,15+,16-,17+/m1/s1
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n/an/an/an/a 0n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


Article DOI: 10.1021/jm00075a003
BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50042444
PNG
(6-Methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahy...)
Show SMILES COc1ccc2CC[C@H]3C(C)(N)CCC[C@]3(C)c2c1
Show InChI InChI=1S/C17H25NO/c1-16-9-4-10-17(2,18)15(16)8-6-12-5-7-13(19-3)11-14(12)16/h5,7,11,15H,4,6,8-10,18H2,1-3H3/t15-,16-,17?/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


Article DOI: 10.1021/jm00075a003
BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50090910
PNG
(3alpha,16,17,18-tetrahydroxyaphidicolone | 6,13-di...)
Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO
Show InChI InChI=1/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/s2
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n/an/an/an/a 2.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


Article DOI: 10.1021/jm00075a003
BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50042448
PNG
(7-Formyl-6-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES COC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1cc(C=O)c(OC)cc21
Show InChI InChI=1S/C20H26O4/c1-19-8-5-9-20(2,18(22)24-4)17(19)7-6-13-10-14(12-21)16(23-3)11-15(13)19/h10-12,17H,5-9H2,1-4H3/t17-,19-,20?/m1/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


Article DOI: 10.1021/jm00075a003
BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50042456
PNG
((8-Hydroxymethyl-3-methoxy-4b,8-dimethyl-4b,5,6,7,...)
Show SMILES COc1cc2c(CC[C@H]3C(C)(CO)CCC[C@]23C)cc1CO
Show InChI InChI=1S/C19H28O3/c1-18(12-21)7-4-8-19(2)15-10-16(22-3)14(11-20)9-13(15)5-6-17(18)19/h9-10,17,20-21H,4-8,11-12H2,1-3H3/t17-,18?,19+/m0/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


Article DOI: 10.1021/jm00075a003
BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50042449
PNG
((2R,4aS)1,7-Bis-hydroxymethyl-1,4a-dimethyl-1,2,3,...)
Show SMILES CC1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CCc1cc(CO)c(O)cc21
Show InChI InChI=1S/C18H26O4/c1-17-6-5-16(22)18(2,10-20)15(17)4-3-11-7-12(9-19)14(21)8-13(11)17/h7-8,15-16,19-22H,3-6,9-10H2,1-2H3/t15-,16-,17-,18?/m1/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


Article DOI: 10.1021/jm00075a003
BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50042445
PNG
(6-Methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahy...)
Show SMILES COc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(O)=O
Show InChI InChI=1S/C18H24O3/c1-17-9-4-10-18(2,16(19)20)15(17)8-6-12-5-7-13(21-3)11-14(12)17/h5,7,11,15H,4,6,8-10H2,1-3H3,(H,19,20)/t15-,17-,18?/m1/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


Article DOI: 10.1021/jm00075a003
BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50042454
PNG
(7-Formyl-6-hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1cc(C=O)c(O)cc21)C(O)=O
Show InChI InChI=1S/C18H22O4/c1-17-6-3-7-18(2,16(21)22)15(17)5-4-11-8-12(10-19)14(20)9-13(11)17/h8-10,15,20H,3-7H2,1-2H3,(H,21,22)/t15-,17-,18?/m1/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


Article DOI: 10.1021/jm00075a003
BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50042447
PNG
((2S,4aS)1,7-Bis-hydroxymethyl-1,4a-dimethyl-1,2,3,...)
Show SMILES CC1(CO)[C@@H](O)CC[C@@]2(C)[C@H]1CCc1cc(CO)c(O)cc21
Show InChI InChI=1S/C18H26O4/c1-17-6-5-16(22)18(2,10-20)15(17)4-3-11-7-12(9-19)14(21)8-13(11)17/h7-8,15-16,19-22H,3-6,9-10H2,1-2H3/t15-,16+,17-,18?/m1/s1
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n/an/an/an/a 7.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


Article DOI: 10.1021/jm00075a003
BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50042459
PNG
(1-Hydroxymethyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-...)
Show SMILES CC1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C17H24O3/c1-16-8-7-15(20)17(2,10-18)14(16)6-4-11-3-5-12(19)9-13(11)16/h3,5,9,14-15,18-20H,4,6-8,10H2,1-2H3/t14-,15-,16-,17?/m1/s1
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n/an/an/an/a 8.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


Article DOI: 10.1021/jm00075a003
BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50001208
PNG
(CHEMBL3236424)
Show SMILES CC(=O)NP(O)(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O
Show InChI InChI=1/C11H15F2N4O7P/c1-5(18)16-25(21,22)23-4-6-8(19)11(12,13)9(24-6)17-3-2-7(14)15-10(17)20/h2-3,6,8-9,19H,4H2,1H3,(H2,14,15,20)(H2,16,18,21,22)/t6-,8-,9-/s2
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n/an/an/an/a 7.00E+4n/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha using dCTP as substrate assessed as single base extension reaction after 2 hrs


Bioorg Med Chem 22: 2133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.02.034
BindingDB Entry DOI: 10.7270/Q20866TW
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50001142
PNG
(CHEMBL3236418)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(S)(=O)NC(=O)c3cccnc3)[C@@H](O)C2(F)F)c(=O)n1
Show InChI InChI=1/C15H16F2N5O6PS/c16-15(17)11(23)9(28-13(15)22-5-3-10(18)20-14(22)25)7-27-29(26,30)21-12(24)8-2-1-4-19-6-8/h1-6,9,11,13,23H,7H2,(H2,18,20,25)(H2,21,24,26,30)/t9-,11-,13-,29?/s2
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n/an/an/an/a 8.00E+4n/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha using dCTP as substrate assessed as single base extension reaction after 2 hrs


Bioorg Med Chem 22: 2133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.02.034
BindingDB Entry DOI: 10.7270/Q20866TW
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50001206
PNG
(CHEMBL3236422)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)NC(=O)c3cccnc3)[C@@H](O)C2(F)F)c(=O)n1
Show InChI InChI=1/C15H16F2N5O7P/c16-15(17)11(23)9(29-13(15)22-5-3-10(18)20-14(22)25)7-28-30(26,27)21-12(24)8-2-1-4-19-6-8/h1-6,9,11,13,23H,7H2,(H2,18,20,25)(H2,21,24,26,27)/t9-,11-,13-/s2
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n/an/an/an/a 2.50E+5n/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha using dCTP as substrate assessed as single base extension reaction after 2 hrs


Bioorg Med Chem 22: 2133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.02.034
BindingDB Entry DOI: 10.7270/Q20866TW
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50001141
PNG
(CHEMBL3236417)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(S)(=O)NC(=O)c3ccccc3)[C@@H](O)C2(F)F)c(=O)n1
Show InChI InChI=1/C16H17F2N4O6PS/c17-16(18)12(23)10(28-14(16)22-7-6-11(19)20-15(22)25)8-27-29(26,30)21-13(24)9-4-2-1-3-5-9/h1-7,10,12,14,23H,8H2,(H2,19,20,25)(H2,21,24,26,30)/t10-,12-,14-,29?/s2
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n/an/an/an/a 3.50E+5n/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha using dCTP as substrate assessed as single base extension reaction after 2 hrs


Bioorg Med Chem 22: 2133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.02.034
BindingDB Entry DOI: 10.7270/Q20866TW
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50001209
PNG
(CHEMBL3236425)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)NP(O)(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O
Show InChI InChI=1/C16H22F2N5O8P/c1-8(24)22-5-2-3-9(22)13(26)21-32(28,29)30-7-10-12(25)16(17,18)14(31-10)23-6-4-11(19)20-15(23)27/h4,6,9-10,12,14,25H,2-3,5,7H2,1H3,(H2,19,20,27)(H2,21,26,28,29)/t9-,10+,12+,14+/s2
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n/an/an/an/a 4.10E+5n/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha using dCTP as substrate assessed as single base extension reaction after 2 hrs


Bioorg Med Chem 22: 2133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.02.034
BindingDB Entry DOI: 10.7270/Q20866TW
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50001207
PNG
(CHEMBL3236423)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)NC(=O)c3ccncc3)[C@@H](O)C2(F)F)c(=O)n1
Show InChI InChI=1/C15H16F2N5O7P/c16-15(17)11(23)9(29-13(15)22-6-3-10(18)20-14(22)25)7-28-30(26,27)21-12(24)8-1-4-19-5-2-8/h1-6,9,11,13,23H,7H2,(H2,18,20,25)(H2,21,24,26,27)/t9-,11-,13-/s2
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n/an/an/an/a>5.00E+5n/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha using dCTP as substrate assessed as single base extension reaction after 2 hrs


Bioorg Med Chem 22: 2133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.02.034
BindingDB Entry DOI: 10.7270/Q20866TW
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50001205
PNG
(CHEMBL3236421)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)NC(=O)c3ccccc3)[C@@H](O)C2(F)F)c(=O)n1
Show InChI InChI=1/C16H17F2N4O7P/c17-16(18)12(23)10(29-14(16)22-7-6-11(19)20-15(22)25)8-28-30(26,27)21-13(24)9-4-2-1-3-5-9/h1-7,10,12,14,23H,8H2,(H2,19,20,25)(H2,21,24,26,27)/t10-,12-,14-/s2
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n/an/an/an/a>5.00E+5n/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha using dCTP as substrate assessed as single base extension reaction after 2 hrs


Bioorg Med Chem 22: 2133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.02.034
BindingDB Entry DOI: 10.7270/Q20866TW
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50001204
PNG
(CHEMBL3236420)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)NP(S)(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O
Show InChI InChI=1/C16H22F2N5O7PS/c1-8(24)22-5-2-3-9(22)13(26)21-31(28,32)29-7-10-12(25)16(17,18)14(30-10)23-6-4-11(19)20-15(23)27/h4,6,9-10,12,14,25H,2-3,5,7H2,1H3,(H2,19,20,27)(H2,21,26,28,32)/t9-,10+,12+,14+,31?/s2
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n/an/an/an/a>5.00E+5n/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha using dCTP as substrate assessed as single base extension reaction after 2 hrs


Bioorg Med Chem 22: 2133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.02.034
BindingDB Entry DOI: 10.7270/Q20866TW
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50001143
PNG
(CHEMBL3236419)
Show SMILES CC(=O)NP(S)(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O
Show InChI InChI=1/C11H15F2N4O6PS/c1-5(18)16-24(21,25)22-4-6-8(19)11(12,13)9(23-6)17-3-2-7(14)15-10(17)20/h2-3,6,8-9,19H,4H2,1H3,(H2,14,15,20)(H2,16,18,21,25)/t6-,8-,9-,24?/s2
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n/an/an/an/a>5.00E+5n/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha using dCTP as substrate assessed as single base extension reaction after 2 hrs


Bioorg Med Chem 22: 2133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.02.034
BindingDB Entry DOI: 10.7270/Q20866TW
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50001210
PNG
(CHEMBL3236426)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)NP(O)(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O
Show InChI InChI=1/C20H24F2N5O8P/c1-11(28)24-13(9-12-5-3-2-4-6-12)17(30)26-36(32,33)34-10-14-16(29)20(21,22)18(35-14)27-8-7-15(23)25-19(27)31/h2-8,13-14,16,18,29H,9-10H2,1H3,(H,24,28)(H2,23,25,31)(H2,26,30,32,33)/t13-,14+,16+,18+/s2
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n/an/an/an/a>5.00E+5n/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha using dCTP as substrate assessed as single base extension reaction after 2 hrs


Bioorg Med Chem 22: 2133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.02.034
BindingDB Entry DOI: 10.7270/Q20866TW
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50225280
PNG
(CHEMBL3144215)
Show SMILES CCCCc1ccc(NC2=NC(=O)C3N=CN([C@H]4C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O4)C3=N2)cc1
Show InChI InChI=1/C20H28N5O13P3/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(27)24-20)21-11-25(18)16-9-14(26)15(36-16)10-35-40(31,32)38-41(33,34)37-39(28,29)30/h5-8,11,14-17,26H,2-4,9-10H2,1H3,(H,31,32)(H,33,34)(H,22,24,27)(H2,28,29,30)/t14-,15+,16+,17?/s2
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against HeLa DNA polymerase alpha, Ki values were obtained in the absence of dGTP


J Med Chem 27: 175-81 (1984)


Article DOI: 10.1021/jm00368a012
BindingDB Entry DOI: 10.7270/Q2HH6KMT
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(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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830n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase alpha 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 (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50025592
PNG
((4-Butyl-phenyl)-(6-methylsulfanyl-9H-purin-2-yl)-...)
Show SMILES CCCCc1ccc(Nc2nc(SC)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C16H19N5S/c1-3-4-5-11-6-8-12(9-7-11)19-16-20-14-13(17-10-18-14)15(21-16)22-2/h6-10H,3-5H2,1-2H3,(H2,17,18,19,20,21)
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha


J Med Chem 30: 109-16 (1987)


Article DOI: 10.1021/jm00384a019
BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50025600
PNG
((4-Butyl-phenyl)-(6-methoxy-9H-purin-2-yl)-amine |...)
Show SMILES CCCCc1ccc(Nc2nc(OC)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C16H19N5O/c1-3-4-5-11-6-8-12(9-7-11)19-16-20-14-13(17-10-18-14)15(21-16)22-2/h6-10H,3-5H2,1-2H3,(H2,17,18,19,20,21)
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1.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha


J Med Chem 30: 109-16 (1987)


Article DOI: 10.1021/jm00384a019
BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50405103
PNG
(CHEMBL2115349)
Show SMILES CCCCc1ccc(Nc2nc3n(cnc3c(=O)[nH]2)[C@H]2C[C@H](O)[C@@H](CO)O2)cc1
Show InChI InChI=1/C20H25N5O4/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(28)24-20)21-11-25(18)16-9-14(27)15(10-26)29-16/h5-8,11,14-16,26-27H,2-4,9-10H2,1H3,(H2,22,23,24,28)/t14-,15+,16+/s2
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2.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against HeLa DNA polymerase alpha, Ki values were obtained in the absence of dGTP


J Med Chem 27: 175-81 (1984)


Article DOI: 10.1021/jm00368a012
BindingDB Entry DOI: 10.7270/Q2HH6KMT
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50025598
PNG
((4-Butyl-phenyl)-(6-chloro-9H-purin-2-yl)-amine | ...)
Show SMILES CCCCc1ccc(Nc2nc(Cl)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C15H16ClN5/c1-2-3-4-10-5-7-11(8-6-10)19-15-20-13(16)12-14(21-15)18-9-17-12/h5-9H,2-4H2,1H3,(H2,17,18,19,20,21)
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2.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha


J Med Chem 30: 109-16 (1987)


Article DOI: 10.1021/jm00384a019
BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50153106
PNG
(CHEMBL189703 | [(3S,10R,13R,17R)-17-((R)-1,5-Dimet...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O
Show InChI InChI=1S/C29H48O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3,(H,30,31)/t20-,22+,23?,24-,25?,26?,28+,29-/m1/s1
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3.75E+3n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha non competitively on dNTP substrate


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50025597
PNG
((4-Butyl-phenyl)-(9H-purin-2-yl)-amine | CHEMBL278...)
Show SMILES CCCCc1ccc(Nc2ncc3[nH]cnc3n2)cc1
Show InChI InChI=1S/C15H17N5/c1-2-3-4-11-5-7-12(8-6-11)19-15-16-9-13-14(20-15)18-10-17-13/h5-10H,2-4H2,1H3,(H2,16,17,18,19,20)
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha


J Med Chem 30: 109-16 (1987)


Article DOI: 10.1021/jm00384a019
BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50013074
PNG
(2-(4-Butyl-phenylamino)-1,9-dihydro-purin-6-one | ...)
Show SMILES CCCCc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C15H17N5O/c1-2-3-4-10-5-7-11(8-6-10)18-15-19-13-12(14(21)20-15)16-9-17-13/h5-9H,2-4H2,1H3,(H3,16,17,18,19,20,21)
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7.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against HeLa DNA polymerase alpha, Ki values were obtained in the absence of dGTP


J Med Chem 27: 175-81 (1984)


Article DOI: 10.1021/jm00368a012
BindingDB Entry DOI: 10.7270/Q2HH6KMT
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50153111
PNG
(CHEMBL189667 | [(3S,5S,10S,13R,17R)-17-((R)-1,5-Di...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O
Show InChI InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-26H,6-18H2,1-5H3,(H,30,31)/t20-,21+,22+,23?,24-,25?,26?,28+,29-/m1/s1
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7.84E+3n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha non competitively on dNTP substrate


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50153113
PNG
(CHEMBL364611 | [(3S,10R,13R,17R)-17-((E)-(1R,4S)-4...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O)C(C)C
Show InChI InChI=1S/C31H50O3/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(34-19-29(32)33)14-16-30(23,5)28(25)15-17-31(26,27)6/h8-10,20-22,24-28H,7,11-19H2,1-6H3,(H,32,33)/b9-8+/t21-,22-,24+,25?,26-,27?,28?,30+,31-/m1/s1
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1.12E+4n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha non competitively on dNTP substrate


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50013074
PNG
(2-(4-Butyl-phenylamino)-1,9-dihydro-purin-6-one | ...)
Show SMILES CCCCc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C15H17N5O/c1-2-3-4-10-5-7-11(8-6-10)18-15-19-13-12(14(21)20-15)16-9-17-13/h5-9H,2-4H2,1H3,(H3,16,17,18,19,20,21)
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1.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha


J Med Chem 30: 109-16 (1987)


Article DOI: 10.1021/jm00384a019
BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50153111
PNG
(CHEMBL189667 | [(3S,5S,10S,13R,17R)-17-((R)-1,5-Di...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O
Show InChI InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-26H,6-18H2,1-5H3,(H,30,31)/t20-,21+,22+,23?,24-,25?,26?,28+,29-/m1/s1
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1.38E+4n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha competitively on DNA template


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50025593
PNG
(CHEMBL16122 | N*2*-(4-Butyl-phenyl)-9H-purine-2,6-...)
Show SMILES CCCCc1ccc(Nc2nc(N)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C15H18N6/c1-2-3-4-10-5-7-11(8-6-10)19-15-20-13(16)12-14(21-15)18-9-17-12/h5-9H,2-4H2,1H3,(H4,16,17,18,19,20,21)
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1.44E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha


J Med Chem 30: 109-16 (1987)


Article DOI: 10.1021/jm00384a019
BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50153106
PNG
(CHEMBL189703 | [(3S,10R,13R,17R)-17-((R)-1,5-Dimet...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O
Show InChI InChI=1S/C29H48O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3,(H,30,31)/t20-,22+,23?,24-,25?,26?,28+,29-/m1/s1
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1.85E+4n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha competitively on DNA template


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50405103
PNG
(CHEMBL2115349)
Show SMILES CCCCc1ccc(Nc2nc3n(cnc3c(=O)[nH]2)[C@H]2C[C@H](O)[C@@H](CO)O2)cc1
Show InChI InChI=1/C20H25N5O4/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(28)24-20)21-11-25(18)16-9-14(27)15(10-26)29-16/h5-8,11,14-16,26-27H,2-4,9-10H2,1H3,(H2,22,23,24,28)/t14-,15+,16+/s2
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2.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against HeLa DNA polymerase alpha, Ki values were obtained in the absence of dGTP


J Med Chem 27: 175-81 (1984)


Article DOI: 10.1021/jm00368a012
BindingDB Entry DOI: 10.7270/Q2HH6KMT
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50153113
PNG
(CHEMBL364611 | [(3S,10R,13R,17R)-17-((E)-(1R,4S)-4...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O)C(C)C
Show InChI InChI=1S/C31H50O3/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(34-19-29(32)33)14-16-30(23,5)28(25)15-17-31(26,27)6/h8-10,20-22,24-28H,7,11-19H2,1-6H3,(H,32,33)/b9-8+/t21-,22-,24+,25?,26-,27?,28?,30+,31-/m1/s1
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2.79E+4n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha competitively on DNA template


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50025595
PNG
(2-(4-Butyl-phenylamino)-1,9-dihydro-purine-6-thion...)
Show SMILES CCCCc1ccc(Nc2nc3nc[nH]c3c(=S)[nH]2)cc1
Show InChI InChI=1S/C15H17N5S/c1-2-3-4-10-5-7-11(8-6-10)18-15-19-13-12(14(21)20-15)16-9-17-13/h5-9H,2-4H2,1H3,(H3,16,17,18,19,20,21)
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3.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha


J Med Chem 30: 109-16 (1987)


Article DOI: 10.1021/jm00384a019
BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50405103
PNG
(CHEMBL2115349)
Show SMILES CCCCc1ccc(Nc2nc3n(cnc3c(=O)[nH]2)[C@H]2C[C@H](O)[C@@H](CO)O2)cc1
Show InChI InChI=1/C20H25N5O4/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(28)24-20)21-11-25(18)16-9-14(27)15(10-26)29-16/h5-8,11,14-16,26-27H,2-4,9-10H2,1H3,(H2,22,23,24,28)/t14-,15+,16+/s2
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3.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against HeLa DNA polymerase alpha, Ki values were obtained in the absence of dGTP


J Med Chem 27: 175-81 (1984)


Article DOI: 10.1021/jm00368a012
BindingDB Entry DOI: 10.7270/Q2HH6KMT
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50013075
PNG
(2-(Indan-5-ylamino)-1,9-dihydro-purin-6-one | CHEM...)
Show SMILES O=c1[nH]c(Nc2ccc3CCCc3c2)nc2nc[nH]c12
Show InChI InChI=1S/C14H13N5O/c20-13-11-12(16-7-15-11)18-14(19-13)17-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,15,16,17,18,19,20)
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4.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha


J Med Chem 30: 109-16 (1987)


Article DOI: 10.1021/jm00384a019
BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50118823
PNG
(2,2-Dimethyl-propionic acid [5-(7-amino-[1,2,3]tri...)
Show SMILES CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OC[C@H]1OC(C[C@H]1O)n1nnc2c(N)ncnc12
Show InChI InChI=1S/C21H33N6O10P/c1-20(2,3)18(29)32-10-35-38(31,36-11-33-19(30)21(4,5)6)34-8-13-12(28)7-14(37-13)27-17-15(25-26-27)16(22)23-9-24-17/h9,12-14,28H,7-8,10-11H2,1-6H3,(H2,22,23,24)/t12-,13-,14?/m1/s1
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1.56E+5n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit the incorporation of dATP into DNA by DNA polymerase alpha


J Med Chem 45: 4505-12 (2002)


Article DOI: 10.1021/jm020107s
BindingDB Entry DOI: 10.7270/Q2KS6QWF
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50118822
PNG
(2,2-Dimethyl-propionic acid [5-(6-amino-8-bromo-pu...)
Show SMILES CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OC[C@H]1O[C@H](C[C@@H]1O)n1c(Br)nc2c(N)ncnc12
Show InChI InChI=1S/C22H33BrN5O10P/c1-21(2,3)18(30)33-10-36-39(32,37-11-34-19(31)22(4,5)6)35-8-13-12(29)7-14(38-13)28-17-15(27-20(28)23)16(24)25-9-26-17/h9,12-14,29H,7-8,10-11H2,1-6H3,(H2,24,25,26)/t12-,13+,14+/m0/s1
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5.48E+5n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit the incorporation of dATP into DNA by DNA polymerase alpha


J Med Chem 45: 4505-12 (2002)


Article DOI: 10.1021/jm020107s
BindingDB Entry DOI: 10.7270/Q2KS6QWF
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=1/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
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