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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'DNA polymerase delta catalytic subunit'   
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 delta catalytic subunit


(Homo sapiens (Human))
BDBM50370476
PNG
(Combivir | ZIDOVUDINE TRIPHOSPHATE)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
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n/an/a 2.30E+3n/an/an/an/a7.5n/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of human delta 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
DNA polymerase delta catalytic subunit


(Homo sapiens (Human))
BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=O)P(O)(O)=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)
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n/an/a>2.00E+4n/an/an/an/a7.5n/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of human delta 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
DNA polymerase delta catalytic subunit


(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 |r|
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>4.00E+4n/an/an/an/a7.5n/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of human delta 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
DNA polymerase delta catalytic subunit


(Homo sapiens (Human))
BDBM50172526
PNG
(1-Methyl-6-morpholin-4-ylmethyl-4-oxo-1,4-dihydro-...)
Show SMILES Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOCC3)ccc12
Show InChI InChI=1S/C23H24ClN3O3/c1-26-15-20(23(29)25-13-16-2-5-18(24)6-3-16)22(28)19-12-17(4-7-21(19)26)14-27-8-10-30-11-9-27/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,29)
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n/an/a>4.00E+4n/an/an/an/a7.5n/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of human delta 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
DNA polymerase delta catalytic subunit


(Homo sapiens (Human))
BDBM50172517
PNG
(4-Hydroxy-6-(3-hydroxy-propyl)-quinoline-3-carboxy...)
Show SMILES OCCCc1ccc2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1
Show InChI InChI=1S/C20H19ClN2O3/c21-15-6-3-14(4-7-15)11-23-20(26)17-12-22-18-8-5-13(2-1-9-24)10-16(18)19(17)25/h3-8,10,12,24H,1-2,9,11H2,(H,22,25)(H,23,26)
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Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of human delta 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
DNA polymerase delta catalytic subunit


(Homo sapiens (Human))
BDBM50172514
PNG
(7-Methyl-2-morpholin-4-ylmethyl-4-oxo-4,7-dihydro-...)
Show SMILES Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOCC3)sc12
Show InChI InChI=1S/C21H22ClN3O3S/c1-24-13-18(20(27)23-11-14-2-4-15(22)5-3-14)19(26)17-10-16(29-21(17)24)12-25-6-8-28-9-7-25/h2-5,10,13H,6-9,11-12H2,1H3,(H,23,27)
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Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of human delta 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
DNA polymerase delta catalytic subunit


(Homo sapiens (Human))
BDBM50379292
PNG
(CHEMBL2011646)
Show SMILES C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)[C@@H](O)[C@@H]2CO1 |r,t:3,5|
Show InChI InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
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n/an/a 5.45E+4n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


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


J Nat Prod 75: 135-41 (2012)


Article DOI: 10.1021/np200523b
BindingDB Entry DOI: 10.7270/Q2T154NG
More data for this
Ligand-Target Pair
DNA polymerase delta catalytic subunit


(Homo sapiens (Human))
BDBM50379293
PNG
(CHEMBL2011648)
Show SMILES C\C=C\C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1 |r,t:3,5|
Show InChI InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,26)19(15(12)10-27-14)28-20(25)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,26H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
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n/an/a 6.80E+4n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


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


J Nat Prod 75: 135-41 (2012)


Article DOI: 10.1021/np200523b
BindingDB Entry DOI: 10.7270/Q2T154NG
More data for this
Ligand-Target Pair
DNA polymerase delta catalytic subunit


(Homo sapiens (Human))
BDBM50379294
PNG
(CHEMBL2011647)
Show SMILES Cc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(\C=C\CO)=CC2=CC(=O)[C@@]1(C)O |r,c:21,24|
Show InChI InChI=1S/C21H22O8/c1-11-6-13(23)9-16(24)18(11)20(26)29-19-15-10-28-14(4-3-5-22)7-12(15)8-17(25)21(19,2)27/h3-4,6-9,15,19,22-24,27H,5,10H2,1-2H3/b4-3+/t15-,19+,21-/m1/s1
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n/an/a 9.64E+4n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


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


J Nat Prod 75: 135-41 (2012)


Article DOI: 10.1021/np200523b
BindingDB Entry DOI: 10.7270/Q2T154NG
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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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
DNA polymerase delta catalytic subunit


(Drosophila melanogaster)
BDBM50448688
PNG
(Pecilocin | Variotin)
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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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
DNA polymerase delta catalytic subunit


(Drosophila melanogaster)
BDBM50448690
PNG
(CHEMBL3127728)
Show SMILES CCCCC(=O)C=C(C)C=CCCC(=O)N1CCCC1=O |w:6.5,9.8|
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/h5,8,13H,3-4,6-7,9-12H2,1-2H3
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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
DNA polymerase delta catalytic subunit


(Drosophila melanogaster)
BDBM50448691
PNG
(CHEMBL3127729)
Show SMILES C\C(\C=C\CCC(=O)N1CCCC1=O)=C/C1CCCCO1
Show InChI InChI=1S/C17H25NO3/c1-14(13-15-8-4-5-12-21-15)7-2-3-9-16(19)18-11-6-10-17(18)20/h2,7,13,15H,3-6,8-12H2,1H3/b7-2+,14-13+
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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
DNA polymerase delta catalytic subunit


(Homo sapiens (Human))
BDBM50428818
PNG
(CHEMBL3142662)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)Nc1cccc2ccccc12 |r|
Show InChI InChI=1S/C30H37N3O5/c1-6-19(2)26(28(36)31-24-13-9-11-21-10-7-8-12-23(21)24)33-27(35)25(32-29(37)38-30(3,4)5)18-20-14-16-22(34)17-15-20/h7-17,19,25-26,34H,6,18H2,1-5H3,(H,31,36)(H,32,37)(H,33,35)
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Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase delta using poly(dA)/oligo(dT)18 (A/T, 2/1)/dTTP DNA template-primer substrate measured at 37 degC for 60 mins


Bioorg Med Chem 21: 403-11 (2012)


Article DOI: 10.1016/j.bmc.2012.11.024
BindingDB Entry DOI: 10.7270/Q2833TC4
More data for this
Ligand-Target Pair
DNA polymerase delta catalytic subunit


(Homo sapiens (Human))
BDBM50208247
PNG
((3,4-dihydro-4-hydroxy-8-methoxynaphthalene-1(2H)-...)
Show SMILES COc1cccc2C(O)CCC(=O)c12
Show InChI InChI=1S/C11H12O3/c1-14-10-4-2-3-7-8(12)5-6-9(13)11(7)10/h2-4,8,12H,5-6H2,1H3
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Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase delta


Bioorg Med Chem 15: 3109-14 (2007)


Article DOI: 10.1016/j.bmc.2007.02.052
BindingDB Entry DOI: 10.7270/Q2GQ6ZKP
More data for this
Ligand-Target Pair
DNA polymerase delta catalytic subunit


(Homo sapiens (Human))
BDBM50208250
PNG
(3-methyl-8-methoxy-3,4-dihydroisocoumarin | CHEMBL...)
Show SMILES COc1cccc2CC(C)OC(=O)c12 |w:8.8|
Show InChI InChI=1S/C11H12O3/c1-7-6-8-4-3-5-9(13-2)10(8)11(12)14-7/h3-5,7H,6H2,1-2H3
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Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase delta


Bioorg Med Chem 15: 3109-14 (2007)


Article DOI: 10.1016/j.bmc.2007.02.052
BindingDB Entry DOI: 10.7270/Q2GQ6ZKP
More data for this
Ligand-Target Pair
DNA polymerase delta catalytic subunit


(Homo sapiens (Human))
BDBM50208248
PNG
((1,2,3,4-tetrahydro-5-methoxynaphthalene-1,4-diol ...)
Show SMILES COc1cccc2C(O)CCC(O)c12 |w:11.11,7.7|
Show InChI InChI=1S/C11H14O3/c1-14-10-4-2-3-7-8(12)5-6-9(13)11(7)10/h2-4,8-9,12-13H,5-6H2,1H3
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Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase delta


Bioorg Med Chem 15: 3109-14 (2007)


Article DOI: 10.1016/j.bmc.2007.02.052
BindingDB Entry DOI: 10.7270/Q2GQ6ZKP
More data for this
Ligand-Target Pair
DNA polymerase delta catalytic subunit


(Homo sapiens (Human))
BDBM50208246
PNG
(5-formyl-8-hydroxy-3-methyl-3,4-dihydroisocoumarin...)
Show SMILES CC1Cc2c(C=O)ccc(O)c2C(=O)O1 |w:1.0|
Show InChI InChI=1S/C11H10O4/c1-6-4-8-7(5-12)2-3-9(13)10(8)11(14)15-6/h2-3,5-6,13H,4H2,1H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase delta


Bioorg Med Chem 15: 3109-14 (2007)


Article DOI: 10.1016/j.bmc.2007.02.052
BindingDB Entry DOI: 10.7270/Q2GQ6ZKP
More data for this
Ligand-Target Pair
DNA polymerase delta catalytic subunit


(Homo sapiens (Human))
BDBM50208245
PNG
(5-hydroxy-3-hydroxymethyl-2-methyl-7-methoxychromo...)
Show SMILES COc1cc(O)c2c(c1)oc(C)c(CO)c2=O
Show InChI InChI=1S/C12H12O5/c1-6-8(5-13)12(15)11-9(14)3-7(16-2)4-10(11)17-6/h3-4,13-14H,5H2,1-2H3
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Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase delta


Bioorg Med Chem 15: 3109-14 (2007)


Article DOI: 10.1016/j.bmc.2007.02.052
BindingDB Entry DOI: 10.7270/Q2GQ6ZKP
More data for this
Ligand-Target Pair
DNA polymerase delta catalytic subunit


(Homo sapiens (Human))
BDBM50208251
PNG
(3-5-dimethyl-8-methoxy-3,4-dihydroisocoumarin | CH...)
Show SMILES COc1ccc(C)c2CC(C)OC(=O)c12 |w:9.9|
Show InChI InChI=1S/C12H14O3/c1-7-4-5-10(14-3)11-9(7)6-8(2)15-12(11)13/h4-5,8H,6H2,1-3H3
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Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase delta


Bioorg Med Chem 15: 3109-14 (2007)


Article DOI: 10.1016/j.bmc.2007.02.052
BindingDB Entry DOI: 10.7270/Q2GQ6ZKP
More data for this
Ligand-Target Pair
DNA polymerase delta catalytic subunit


(Homo sapiens (Human))
BDBM50208249
PNG
(3-methyl-8-hydroxy-3,4-dihydroisocoumarin | CHEMBL...)
Show SMILES CC1Cc2cccc(O)c2C(=O)O1
Show InChI InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3
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MCE
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase delta


Bioorg Med Chem 15: 3109-14 (2007)


Article DOI: 10.1016/j.bmc.2007.02.052
BindingDB Entry DOI: 10.7270/Q2GQ6ZKP
More data for this
Ligand-Target Pair