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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 291.3
BDBM50448689

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 16 hits in this display   
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


(Rattus norvegicus)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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5.50E+3n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant rat DNA polymerase beta using poly(dA)/oligo(dT)18 as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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1.16E+4n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of recombinant rat DNA polymerase beta using dTTP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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n/an/a 3.56E+4n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat DNA polymerase beta expressed in Escherichia coli JMpbeta5 assessed as inhibition of incorporation of dTTP into poly(dA...


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
DNA polymerase lambda


(Mus musculus)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of mouse DNA polymerase lambda assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
Deoxyribonuclease-1


(Bos taurus)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of bovine deoxyribonuclease 1 assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
Polynucleotide kinase


(Enterobacteria phage T4)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of T4 bacteriophage polynucleotide kinase assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of mouse IMP dehydrogenase 2 assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
T7 RNA polymerase


(Enterobacteria phage T7)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of T7 RNA polymerase assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
DNA-directed DNA polymerase


(Enterobacteria phage T4)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of T4 bacteriophage DNA polymerase assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
DNA-directed DNA/RNA polymerase mu


(Homo sapiens (Human))
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged recombinant DNA polymerase mu expressed in Escherichia coli BL21 assessed as inhibition of incorporation of dTTP into ...


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Drosophila melanogaster)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of fruit fly DNA polymerase alpha assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
DNA polymerase kappa


(Homo sapiens (Human))
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged human DNA polymerase kappa expressed in Escherichia coli assessed as inhibition of incorporation of dTTP into p...


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
DNA polymerase eta


(Homo sapiens (Human))
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged human DNA polymerase eta expressed in Escherichia coli assessed as inhibition of incorporation of dTTP into pol...


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
DNA nucleotidylexotransferase


(Bos taurus)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of calf thymus TdT assessed as inhibition of incorporation of dTTP into oligo(dT)18(3'OH) after 60 mins


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
DNA polymerase lambda


(Homo sapiens (Human))
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DNA polymerase lambda expressed in Escherichia coli assessed as inhibition of incorporation of dTTP into p...


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
DNA polymerase delta catalytic subunit


(Drosophila melanogaster)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of fruit fly DNA polymerase delta assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair