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Compile Data Set for Download or QSAR

Found 165 hits Enz. Inhib. hit(s) with Target = 'DNA Polymerase alpha'   
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)
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=1S/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?/m0/s1
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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)
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)
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)
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)
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=1S/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+/m0/s1
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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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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=1S/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+/m0/s1
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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)
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)
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)
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=1S/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+/m0/s1
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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)
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)
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


(Bos taurus (bovine))
BDBM21688
PNG
(1-cyclopropyl-7-[4-(4-{4-[(3-ethyl-4-methylphenyl)...)
Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3C)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C35H40F2N6O5/c1-4-22-15-23(8-7-20(22)2)38-28-17-29(44)42(35(48)39-28)12-6-5-11-40-13-14-41(18-21(40)3)32-27(36)16-25-31(30(32)37)43(24-9-10-24)19-26(33(25)45)34(46)47/h7-8,15-17,19,21,24,38H,4-6,9-14,18H2,1-3H3,(H,39,48)(H,46,47)
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>4.82E+5>-19.7n/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 (alpha/delta/epsilon)


(Homo sapiens)
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 alpha


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



Microbiotix



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


Antimicrob Agents Chemother 51: 119-27 (2007)


Article DOI: 10.1128/AAC.01311-05
BindingDB Entry DOI: 10.7270/Q2988599
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
BDBM50013093
PNG
(2-(3-Ethyl-4-methyl-phenylamino)-1,9-dihydro-purin...)
Show SMILES CCc1cc(Nc2nc3nc[nH]c3c(=O)[nH]2)ccc1C
Show InChI InChI=1S/C14H15N5O/c1-3-9-6-10(5-4-8(9)2)17-14-18-12-11(13(20)19-14)15-7-16-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19,20)
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1.76E+6n/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


(Bos taurus (bovine))
BDBM33388
PNG
(dehydroaltenusin derivative, 16)
Show SMILES CCCCCCCCCCCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1
Show InChI InChI=1S/C26H34O6/c1-3-4-5-6-7-8-9-10-11-12-13-31-18-14-19-20-16-21(27)23(29)17-26(20,2)32-25(30)24(19)22(28)15-18/h14-16,28H,3-13,17H2,1-2H3
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n/an/a 60n/an/an/an/a7.537



Kyoto Prefectural University



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


Bioorg Med Chem 17: 7227-38 (2009)


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


(Bos taurus (bovine))
BDBM33387
PNG
(dehydroaltenusin derivative, 15)
Show SMILES CCCCCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1
Show InChI InChI=1S/C20H22O6/c1-3-4-5-6-7-25-12-8-13-14-10-15(21)17(23)11-20(14,2)26-19(24)18(13)16(22)9-12/h8-10,22H,3-7,11H2,1-2H3
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n/an/a 90n/an/an/an/a7.537



Kyoto Prefectural University



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


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
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
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 170n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of DHBV DNA polymerase (duck hepatitis B virus)


J Med Chem 41: 2040-6 (1998)


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


(Bos taurus (bovine))
BDBM33386
PNG
(dehydroaltenusin derivative, 14)
Show SMILES CCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1
Show InChI InChI=1S/C17H16O6/c1-3-4-22-9-5-10-11-7-12(18)14(20)8-17(11,2)23-16(21)15(10)13(19)6-9/h5-7,19H,3-4,8H2,1-2H3
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n/an/a 180n/an/an/an/a7.537



Kyoto Prefectural University



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


Bioorg Med Chem 17: 7227-38 (2009)


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


(Bos taurus (bovine))
BDBM33389
PNG
(dehydroaltenusin derivative, 20)
Show SMILES CC12CC(=O)C(=O)C=C1c1cccc(O)c1C(=O)O2
Show InChI InChI=1S/C14H10O5/c1-14-6-11(17)10(16)5-8(14)7-3-2-4-9(15)12(7)13(18)19-14/h2-5,15H,6H2,1H3
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n/an/a 240n/an/an/an/a7.537



Kyoto Prefectural University



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


Bioorg Med Chem 17: 7227-38 (2009)


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


(Bos taurus (bovine))
BDBM33384
PNG
(dehydroaltenusin)
Show SMILES COc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1
Show InChI InChI=1S/C15H12O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,17H,6H2,1-2H3
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n/an/a 680n/an/an/an/a7.537



Kyoto Prefectural University



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


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
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
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 800n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of DHBV DNA polymerase (duck hepatitis B virus)


J Med Chem 41: 2040-6 (1998)


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


(Bos taurus (bovine))
BDBM33385
PNG
(desmethyldehydroaltenusin, 2)
Show SMILES CC12CC(=O)C(=O)C=C1c1cc(O)cc(O)c1C(=O)O2
Show InChI InChI=1S/C14H10O6/c1-14-5-11(18)9(16)4-8(14)7-2-6(15)3-10(17)12(7)13(19)20-14/h2-4,15,17H,5H2,1H3
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n/an/a 890n/an/an/an/a7.537



Kyoto Prefectural University



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


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
BDBM50205415
PNG
(({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-...)
Show SMILES Cc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H17N2O15P3/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(25-9)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/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 50% inhibition of DHBV DNA polymerase (duck hepatitis B virus)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
BindingDB Entry DOI: 10.7270/Q2FT8MQT
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
BDBM50205415
PNG
(({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-...)
Show SMILES Cc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H17N2O15P3/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(25-9)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/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 50% inhibition of DHBV DNA polymerase (duck hepatitis B virus)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
BindingDB Entry DOI: 10.7270/Q2FT8MQT
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
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
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 1.90E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase alpha


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


Article DOI: 10.1016/j.bmcl.2006.03.005
BindingDB Entry DOI: 10.7270/Q25D8RF8
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
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
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 1.90E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase alpha


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


Article DOI: 10.1016/j.bmcl.2006.03.005
BindingDB Entry DOI: 10.7270/Q25D8RF8
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
BDBM50408427
PNG
(CHEMBL483492)
Show SMILES Cc1cn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)nc1N
Show InChI InChI=1S/C10H17FN3O12P3/c1-5-3-14(10(15)13-9(5)12)8-2-6(11)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8H,2,4H2,1H3,(H,19,20)(H,21,22)(H2,12,13,15)(H2,16,17,18)/t6-,7+,8+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of DHBV DNA polymerase (duck hepatitis B virus)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
BindingDB Entry DOI: 10.7270/Q2FT8MQT
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
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
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 2.30E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase alpha


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


Article DOI: 10.1016/j.bmcl.2006.03.005
BindingDB Entry DOI: 10.7270/Q25D8RF8
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
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 2.50E+3n/an/an/an/an/an/a



USA.

Curated by ChEMBL


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


Antimicrob Agents Chemother 53: 2777-84 (2009)


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


(Homo sapiens)
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=1S/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-/m0/s1
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n/an/a 2.60E+3n/an/an/an/a7.5n/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of human alpha DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C...


J Med Chem 48: 5794-804 (2005)


Article DOI: 10.1021/jm050162b
BindingDB Entry DOI: 10.7270/Q2G44R39
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
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=1S/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-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha


Bioorg Med Chem Lett 20: 3039-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.115
BindingDB Entry DOI: 10.7270/Q2000281
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
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=1S/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-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Human alpha polymerase


Bioorg Med Chem Lett 10: 2079-81 (2000)


Article DOI: 10.1016/s0960-894x(00)00402-9
BindingDB Entry DOI: 10.7270/Q2222T0M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
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
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 3.30E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase alpha


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


Article DOI: 10.1016/j.bmcl.2006.03.005
BindingDB Entry DOI: 10.7270/Q25D8RF8
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
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
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 3.50E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase alpha


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


Article DOI: 10.1016/j.bmcl.2006.03.005
BindingDB Entry DOI: 10.7270/Q25D8RF8
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
BDBM50184754
PNG
((E)-methyl-3,6-dioxo-4-docosenoate | CHEMBL425779)
Show SMILES CCCCCCCCCCCCCCCCC(=O)C=CC(=O)CC(=O)OC
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 3.70E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase alpha


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


Article DOI: 10.1016/j.bmcl.2006.03.005
BindingDB Entry DOI: 10.7270/Q25D8RF8
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
BDBM50143526
PNG
(CHEMBL366792 | Untenone A)
Show SMILES CCCCCCCCCCCCCCCC[C@]1(O)C=CC(=O)[C@H]1C(=O)OC
Show InChI InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(26)19-17-20(24)21(23)22(25)27-2/h17,19,21,26H,3-16,18H2,1-2H3/t21-,23-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase alpha


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


Article DOI: 10.1016/j.bmcl.2006.03.005
BindingDB Entry DOI: 10.7270/Q25D8RF8
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
BDBM50313783
PNG
(CHEMBL1092799 | N-(4-chlorobenzyl)-1-methyl-9-(mor...)
Show SMILES CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(CN4CCOCC4)cc1c23
Show InChI InChI=1S/C25H25ClN4O4/c1-28-21-11-17(13-29-6-8-34-9-7-29)10-19-23(21)30(15-22(28)31)14-20(24(19)32)25(33)27-12-16-2-4-18(26)5-3-16/h2-5,10-11,14H,6-9,12-13,15H2,1H3,(H,27,33)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase alpha expressed in baculovirus infected SF9 cells after 12 mins by scintillation proximity assay


Bioorg Med Chem Lett 20: 1994-2000 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.094
BindingDB Entry DOI: 10.7270/Q26Q1XDN
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
BDBM50313784
PNG
((R)-9-(((2-(benzofuran-2-yl)-2-hydroxyethyl)(methy...)
Show SMILES CN(C[C@@H](O)c1cc2ccccc2o1)Cc1cc2N(C)C(=O)Cn3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)c(c1)c23
Show InChI InChI=1S/C32H29ClN4O5/c1-35(17-26(38)28-13-21-5-3-4-6-27(21)42-28)15-20-11-23-30-25(12-20)36(2)29(39)18-37(30)16-24(31(23)40)32(41)34-14-19-7-9-22(33)10-8-19/h3-13,16,26,38H,14-15,17-18H2,1-2H3,(H,34,41)/t26-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase alpha expressed in baculovirus infected SF9 cells after 12 mins by scintillation proximity assay


Bioorg Med Chem Lett 20: 1994-2000 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.094
BindingDB Entry DOI: 10.7270/Q26Q1XDN
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
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
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 6.90E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase alpha


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


Article DOI: 10.1016/j.bmcl.2006.03.005
BindingDB Entry DOI: 10.7270/Q25D8RF8
More data for this
Ligand-Target Pair
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