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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50032838   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA polymerase beta


(Homo sapiens (Human))
BDBM50335554
PNG
(({[({[2-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)e...)
Show SMILES Nc1nc2n(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H14N5O11P3/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-22-4-25(15,16)23-27(20,21)24-26(17,18)19/h3H,1-2,4H2,(H,15,16)(H,20,21)(H2,17,18,19)(H3,9,11,12,14)
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n/an/a 1.60E+3n/an/an/an/an/an/a



USA.

Curated by ChEMBL


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


Antimicrob Agents Chemother 53: 2777-84 (2009)


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


(Homo sapiens (Human))
BDBM50335554
PNG
(({[({[2-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)e...)
Show SMILES Nc1nc2n(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H14N5O11P3/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-22-4-25(15,16)23-27(20,21)24-26(17,18)19/h3H,1-2,4H2,(H,15,16)(H,20,21)(H2,17,18,19)(H3,9,11,12,14)
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n/an/a 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 beta


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



USA.

Curated by ChEMBL


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


Antimicrob Agents Chemother 53: 2777-84 (2009)


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


(Homo sapiens (Human))
BDBM50335556
PNG
(CHEMBL1652469 | [({[({2-[2-amino-6-(cyclopropylami...)
Show SMILES Nc1nc(NC2CC2)c2ncn(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)c2n1
Show InChI InChI=1S/C11H19N6O10P3/c12-11-15-9(14-7-1-2-7)8-10(16-11)17(5-13-8)3-4-25-6-28(18,19)26-30(23,24)27-29(20,21)22/h5,7H,1-4,6H2,(H,18,19)(H,23,24)(H2,20,21,22)(H3,12,14,15,16)
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n/an/a 2.30E+4n/an/an/an/an/an/a



USA.

Curated by ChEMBL


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


Antimicrob Agents Chemother 53: 2777-84 (2009)


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


(Homo sapiens (Human))
BDBM50335555
PNG
(CHEMBL1652468 | {[({2-[2-amino-6-(cyclopropylamino...)
Show SMILES Nc1nc(NC2CC2)c2ncn(CCOCP(O)(=O)OP(O)(O)=O)c2n1
Show InChI InChI=1S/C11H18N6O7P2/c12-11-15-9(14-7-1-2-7)8-10(16-11)17(5-13-8)3-4-23-6-25(18,19)24-26(20,21)22/h5,7H,1-4,6H2,(H,18,19)(H2,20,21,22)(H3,12,14,15,16)
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n/an/a 3.30E+4n/an/an/an/an/an/a



USA.

Curated by ChEMBL


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


Antimicrob Agents Chemother 53: 2777-84 (2009)


Article DOI: 10.1128/AAC.00103-09
BindingDB Entry DOI: 10.7270/Q2M32W2N
More data for this
Ligand-Target Pair
DNA polymerase subunit gamma-1


(Homo sapiens (Human))
BDBM50335554
PNG
(({[({[2-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)e...)
Show SMILES Nc1nc2n(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H14N5O11P3/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-22-4-25(15,16)23-27(20,21)24-26(17,18)19/h3H,1-2,4H2,(H,15,16)(H,20,21)(H2,17,18,19)(H3,9,11,12,14)
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PubMed
n/an/a 5.94E+4n/an/an/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase gamma 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 catalytic subunit


(Homo sapiens (Human))
BDBM50335556
PNG
(CHEMBL1652469 | [({[({2-[2-amino-6-(cyclopropylami...)
Show SMILES Nc1nc(NC2CC2)c2ncn(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)c2n1
Show InChI InChI=1S/C11H19N6O10P3/c12-11-15-9(14-7-1-2-7)8-10(16-11)17(5-13-8)3-4-25-6-28(18,19)26-30(23,24)27-29(20,21)22/h5,7H,1-4,6H2,(H,18,19)(H,23,24)(H2,20,21,22)(H3,12,14,15,16)
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n/an/a>1.00E+5n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50335553
PNG
(CHEMBL1652466 | [({[2-(2-amino-6-oxo-6,9-dihydro-3...)
Show SMILES Nc1nc2n(CCOCP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H13N5O8P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-20-4-22(15,16)21-23(17,18)19/h3H,1-2,4H2,(H,15,16)(H2,17,18,19)(H3,9,11,12,14)
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n/an/a>1.00E+5n/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 catalytic subunit


(Homo sapiens (Human))
BDBM50335555
PNG
(CHEMBL1652468 | {[({2-[2-amino-6-(cyclopropylamino...)
Show SMILES Nc1nc(NC2CC2)c2ncn(CCOCP(O)(=O)OP(O)(O)=O)c2n1
Show InChI InChI=1S/C11H18N6O7P2/c12-11-15-9(14-7-1-2-7)8-10(16-11)17(5-13-8)3-4-23-6-25(18,19)24-26(20,21)22/h5,7H,1-4,6H2,(H,18,19)(H2,20,21,22)(H3,12,14,15,16)
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n/an/a>1.00E+5n/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 subunit gamma-1


(Homo sapiens (Human))
BDBM50335556
PNG
(CHEMBL1652469 | [({[({2-[2-amino-6-(cyclopropylami...)
Show SMILES Nc1nc(NC2CC2)c2ncn(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)c2n1
Show InChI InChI=1S/C11H19N6O10P3/c12-11-15-9(14-7-1-2-7)8-10(16-11)17(5-13-8)3-4-25-6-28(18,19)26-30(23,24)27-29(20,21)22/h5,7H,1-4,6H2,(H,18,19)(H,23,24)(H2,20,21,22)(H3,12,14,15,16)
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n/an/a>1.50E+5n/an/an/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase gamma 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