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Compile Data Set for Download or QSAR

Found 23 hits of ki for UniProtKB: P09884   
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 alpha catalytic subunit


(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 |r,c:14,39,t:9|
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)


BindingDB Entry DOI: 10.7270/Q2HH6KMT
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(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 catalytic subunit


(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)


BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(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)


BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(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)


BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(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 |t:14|
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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PubMed
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 catalytic subunit


(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)


BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(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)


BindingDB Entry DOI: 10.7270/Q2HH6KMT
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(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 catalytic subunit


(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 |t:13|
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 catalytic subunit


(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)


BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(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 catalytic subunit


(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)


BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(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 |t:14|
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 catalytic subunit


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2HH6KMT
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(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 |t:13|
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 catalytic subunit


(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)


BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2HH6KMT
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2HH6KMT
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(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)


BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(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)


BindingDB Entry DOI: 10.7270/Q2KS6QWF
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(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)


BindingDB Entry DOI: 10.7270/Q2KS6QWF
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair