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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'maresca' and Initial = 'b'   
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 nucleotidylexotransferase


(Homo sapiens (Human))
BDBM50442248
PNG
(CHEMBL2441983)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccccc1F |w:9.9|
Show InChI InChI=1S/C17H12FNO5/c18-14-4-2-1-3-13(14)16(22)10-7-11(19-9-10)5-6-12(20)8-15(21)17(23)24/h1-7,9,19H,8H2,(H,23,24)
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400n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human TdT using 3'-OH as substrate


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA nucleotidylexotransferase


(Homo sapiens (Human))
BDBM50442215
PNG
(CHEMBL2441974)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(O)cc2)c2ccccc12 |w:9.9|
Show InChI InChI=1S/C21H17NO5/c23-16-8-5-14(6-9-16)12-22-13-15(18-3-1-2-4-19(18)22)7-10-17(24)11-20(25)21(26)27/h1-10,13,23H,11-12H2,(H,26,27)
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450n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Competitive inhibition of human TdT using TTP as substrate


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA nucleotidylexotransferase


(Homo sapiens (Human))
BDBM50442248
PNG
(CHEMBL2441983)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccccc1F |w:9.9|
Show InChI InChI=1S/C17H12FNO5/c18-14-4-2-1-3-13(14)16(22)10-7-11(19-9-10)5-6-12(20)8-15(21)17(23)24/h1-7,9,19H,8H2,(H,23,24)
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500n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Competitive inhibition of human TdT using TTP as substrate


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA nucleotidylexotransferase


(Homo sapiens (Human))
BDBM50442215
PNG
(CHEMBL2441974)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(O)cc2)c2ccccc12 |w:9.9|
Show InChI InChI=1S/C21H17NO5/c23-16-8-5-14(6-9-16)12-22-13-15(18-3-1-2-4-19(18)22)7-10-17(24)11-20(25)21(26)27/h1-10,13,23H,11-12H2,(H,26,27)
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500n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human TdT using 3'-OH as substrate


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA nucleotidylexotransferase


(Homo sapiens (Human))
BDBM50442209
PNG
(CHEMBL2441980)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccc(cc1)C#N |w:11.11|
Show InChI InChI=1S/C20H16N2O5/c1-2-27-20(26)18(24)10-17(23)8-7-16-9-15(12-22-16)19(25)14-5-3-13(11-21)4-6-14/h3-9,12,22H,2,10H2,1H3
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1.50E+3n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Competitive inhibition of human TdT using TTP as substrate


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA nucleotidylexotransferase


(Homo sapiens (Human))
BDBM50442209
PNG
(CHEMBL2441980)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccc(cc1)C#N |w:11.11|
Show InChI InChI=1S/C20H16N2O5/c1-2-27-20(26)18(24)10-17(23)8-7-16-9-15(12-22-16)19(25)14-5-3-13(11-21)4-6-14/h3-9,12,22H,2,10H2,1H3
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1.70E+3n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human TdT using 3'-OH as substrate


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442213
PNG
(CHEMBL2441976)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 |w:9.9|
Show InChI InChI=1S/C20H20N2O6/c23-15(11-18(24)20(26)27)6-5-14-12-22(17-4-2-1-3-16(14)17)13-19(25)21-7-9-28-10-8-21/h1-6,12H,7-11,13H2,(H,26,27)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442214
PNG
(CHEMBL2441975)
Show SMILES CN(C)C(=O)Cn1cc(C=CC(=O)CC(=O)C(O)=O)c2ccccc12 |w:9.8|
Show InChI InChI=1S/C18H18N2O5/c1-19(2)17(23)11-20-10-12(14-5-3-4-6-15(14)20)7-8-13(21)9-16(22)18(24)25/h3-8,10H,9,11H2,1-2H3,(H,24,25)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442215
PNG
(CHEMBL2441974)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(O)cc2)c2ccccc12 |w:9.9|
Show InChI InChI=1S/C21H17NO5/c23-16-8-5-14(6-9-16)12-22-13-15(18-3-1-2-4-19(18)22)7-10-17(24)11-20(25)21(26)27/h1-10,13,23H,11-12H2,(H,26,27)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442216
PNG
(CHEMBL2441973)
Show SMILES COc1ccc(Cn2cc(C=CC(=O)CC(=O)C(O)=O)c3ccccc23)cc1 |w:10.9|
Show InChI InChI=1S/C22H19NO5/c1-28-18-10-6-15(7-11-18)13-23-14-16(19-4-2-3-5-20(19)23)8-9-17(24)12-21(25)22(26)27/h2-11,14H,12-13H2,1H3,(H,26,27)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442217
PNG
(CHEMBL2441972)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(cc2)C#N)c2ccccc12 |w:9.9|
Show InChI InChI=1S/C22H16N2O4/c23-12-15-5-7-16(8-6-15)13-24-14-17(19-3-1-2-4-20(19)24)9-10-18(25)11-21(26)22(27)28/h1-10,14H,11,13H2,(H,27,28)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442218
PNG
(CHEMBL2441971)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 |w:9.9|
Show InChI InChI=1S/C21H16ClNO4/c22-16-8-5-14(6-9-16)12-23-13-15(18-3-1-2-4-19(18)23)7-10-17(24)11-20(25)21(26)27/h1-10,13H,11-12H2,(H,26,27)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442219
PNG
(CHEMBL2441970)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 |w:9.9|
Show InChI InChI=1S/C21H16FNO4/c22-16-8-5-14(6-9-16)12-23-13-15(18-3-1-2-4-19(18)23)7-10-17(24)11-20(25)21(26)27/h1-10,13H,11-12H2,(H,26,27)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442220
PNG
(CHEMBL2441969)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccccc2)c2ccccc12 |w:9.9|
Show InChI InChI=1S/C21H17NO4/c23-17(12-20(24)21(25)26)11-10-16-14-22(13-15-6-2-1-3-7-15)19-9-5-4-8-18(16)19/h1-11,14H,12-13H2,(H,25,26)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442221
PNG
(CHEMBL2441968)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cn(-c2ccc(Cl)cc2)c2ccccc12 |w:9.9|
Show InChI InChI=1S/C20H14ClNO4/c21-14-6-8-15(9-7-14)22-12-13(17-3-1-2-4-18(17)22)5-10-16(23)11-19(24)20(25)26/h1-10,12H,11H2,(H,25,26)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442222
PNG
(CHEMBL2441967)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cn(-c2ccc(O)cc2)c2ccccc12 |w:9.9|
Show InChI InChI=1S/C20H15NO5/c22-15-9-6-14(7-10-15)21-12-13(17-3-1-2-4-18(17)21)5-8-16(23)11-19(24)20(25)26/h1-10,12,22H,11H2,(H,25,26)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442223
PNG
(CHEMBL2441966)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cn(-c2ccccc2)c2ccccc12 |w:9.9|
Show InChI InChI=1S/C20H15NO4/c22-16(12-19(23)20(24)25)11-10-14-13-21(15-6-2-1-3-7-15)18-9-5-4-8-17(14)18/h1-11,13H,12H2,(H,24,25)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442224
PNG
(CHEMBL2441965)
Show SMILES CC(=C)Cn1cc(C=CC(=O)CC(=O)C(O)=O)c2ccccc12 |w:7.6|
Show InChI InChI=1S/C18H17NO4/c1-12(2)10-19-11-13(15-5-3-4-6-16(15)19)7-8-14(20)9-17(21)18(22)23/h3-8,11H,1,9-10H2,2H3,(H,22,23)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442225
PNG
(CHEMBL2441964)
Show SMILES [#6]\[#6](-[#6])=[#6]\n1cc(-[#6]=[#6]-[#6](=O)-[#6]-[#6](=O)-[#6](-[#8])=O)c2ccccc12 |w:7.6|
Show InChI InChI=1S/C18H17NO4/c1-12(2)10-19-11-13(15-5-3-4-6-16(15)19)7-8-14(20)9-17(21)18(22)23/h3-8,10-11H,9H2,1-2H3,(H,22,23)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442226
PNG
(CHEMBL2441963)
Show SMILES C\C=C\Cn1cc(C=CC(=O)CC(=O)C(O)=O)c2ccccc12 |w:7.6|
Show InChI InChI=1S/C18H17NO4/c1-2-3-10-19-12-13(15-6-4-5-7-16(15)19)8-9-14(20)11-17(21)18(22)23/h2-9,12H,10-11H2,1H3,(H,22,23)/b3-2+,9-8?
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442227
PNG
(CHEMBL2441962)
Show SMILES C\C=C\n1cc(C=CC(=O)CC(=O)C(O)=O)c2ccccc12 |w:6.5|
Show InChI InChI=1S/C17H15NO4/c1-2-9-18-11-12(14-5-3-4-6-15(14)18)7-8-13(19)10-16(20)17(21)22/h2-9,11H,10H2,1H3,(H,21,22)/b8-7?,9-2+
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442228
PNG
(CHEMBL2441961)
Show SMILES CC(C)CCn1cc(C=CC(=O)CC(=O)C(O)=O)c2ccccc12 |w:8.7|
Show InChI InChI=1S/C19H21NO4/c1-13(2)9-10-20-12-14(16-5-3-4-6-17(16)20)7-8-15(21)11-18(22)19(23)24/h3-8,12-13H,9-11H2,1-2H3,(H,23,24)
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442229
PNG
(CHEMBL2441960)
Show SMILES CCCCn1cc(C=CC(=O)CC(=O)C(O)=O)c2ccccc12 |w:7.6|
Show InChI InChI=1S/C18H19NO4/c1-2-3-10-19-12-13(15-6-4-5-7-16(15)19)8-9-14(20)11-17(21)18(22)23/h4-9,12H,2-3,10-11H2,1H3,(H,22,23)
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442230
PNG
(CHEMBL2441959)
Show SMILES CCCn1cc(C=CC(=O)CC(=O)C(O)=O)c2ccccc12 |w:6.5|
Show InChI InChI=1S/C17H17NO4/c1-2-9-18-11-12(14-5-3-4-6-15(14)18)7-8-13(19)10-16(20)17(21)22/h3-8,11H,2,9-10H2,1H3,(H,21,22)
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442231
PNG
(CHEMBL2441958)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C22H24N2O6/c1-2-30-22(28)20(26)13-17(25)8-7-16-14-24(19-6-4-3-5-18(16)19)15-21(27)23-9-11-29-12-10-23/h3-8,14H,2,9-13,15H2,1H3
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442232
PNG
(CHEMBL2441957)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cn(CC(=O)N(C)C)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C20H22N2O5/c1-4-27-20(26)18(24)11-15(23)10-9-14-12-22(13-19(25)21(2)3)17-8-6-5-7-16(14)17/h5-10,12H,4,11,13H2,1-3H3
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442233
PNG
(CHEMBL2441956)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(O)cc2)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C23H21NO5/c1-2-29-23(28)22(27)13-19(26)12-9-17-15-24(21-6-4-3-5-20(17)21)14-16-7-10-18(25)11-8-16/h3-12,15,25H,2,13-14H2,1H3
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442234
PNG
(CHEMBL2442004)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(OC)cc2)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C24H23NO5/c1-3-30-24(28)23(27)14-19(26)11-10-18-16-25(22-7-5-4-6-21(18)22)15-17-8-12-20(29-2)13-9-17/h4-13,16H,3,14-15H2,1-2H3
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442235
PNG
(CHEMBL2442003)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(cc2)C#N)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C24H20N2O4/c1-2-30-24(29)23(28)13-20(27)12-11-19-16-26(22-6-4-3-5-21(19)22)15-18-9-7-17(14-25)8-10-18/h3-12,16H,2,13,15H2,1H3
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442236
PNG
(CHEMBL2442002)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C23H20ClNO4/c1-2-29-23(28)22(27)13-19(26)12-9-17-15-25(21-6-4-3-5-20(17)21)14-16-7-10-18(24)11-8-16/h3-12,15H,2,13-14H2,1H3
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442237
PNG
(CHEMBL2442001)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C23H20FNO4/c1-2-29-23(28)22(27)13-19(26)12-9-17-15-25(21-6-4-3-5-20(17)21)14-16-7-10-18(24)11-8-16/h3-12,15H,2,13-14H2,1H3
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442238
PNG
(CHEMBL2442000)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccccc2)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C23H21NO4/c1-2-28-23(27)22(26)14-19(25)13-12-18-16-24(15-17-8-4-3-5-9-17)21-11-7-6-10-20(18)21/h3-13,16H,2,14-15H2,1H3
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442239
PNG
(CHEMBL2441999)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cn(-c2ccc(Cl)cc2)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C22H18ClNO4/c1-2-28-22(27)21(26)13-18(25)12-7-15-14-24(17-10-8-16(23)9-11-17)20-6-4-3-5-19(15)20/h3-12,14H,2,13H2,1H3
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442240
PNG
(CHEMBL2441998)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cn(-c2ccc(O)cc2)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C22H19NO5/c1-2-28-22(27)21(26)13-18(25)10-7-15-14-23(16-8-11-17(24)12-9-16)20-6-4-3-5-19(15)20/h3-12,14,24H,2,13H2,1H3
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442241
PNG
(CHEMBL2441996)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cn(CC(C)=C)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C20H21NO4/c1-4-25-20(24)19(23)11-16(22)10-9-15-13-21(12-14(2)3)18-8-6-5-7-17(15)18/h5-10,13H,2,4,11-12H2,1,3H3
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442242
PNG
(CHEMBL2441995)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=O)-[#6]-[#6](=O)-[#6]=[#6]-c1cn(\[#6]=[#6](\[#6])-[#6])c2ccccc12 |w:11.11|
Show InChI InChI=1S/C20H21NO4/c1-4-25-20(24)19(23)11-16(22)10-9-15-13-21(12-14(2)3)18-8-6-5-7-17(15)18/h5-10,12-13H,4,11H2,1-3H3
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442243
PNG
(CHEMBL2441994)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cn(C\C=C\C)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C20H21NO4/c1-3-5-12-21-14-15(17-8-6-7-9-18(17)21)10-11-16(22)13-19(23)20(24)25-4-2/h3,5-11,14H,4,12-13H2,1-2H3/b5-3+,11-10?
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442244
PNG
(CHEMBL2441993)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cn(\C=C\C)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C19H19NO4/c1-3-11-20-13-14(16-7-5-6-8-17(16)20)9-10-15(21)12-18(22)19(23)24-4-2/h3,5-11,13H,4,12H2,1-2H3/b10-9?,11-3+
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442245
PNG
(CHEMBL2441992)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cn(CCC(C)C)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C21H25NO4/c1-4-26-21(25)20(24)13-17(23)10-9-16-14-22(12-11-15(2)3)19-8-6-5-7-18(16)19/h5-10,14-15H,4,11-13H2,1-3H3
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442246
PNG
(CHEMBL2441991)
Show SMILES CCCCn1cc(C=CC(=O)CC(=O)C(=O)OCC)c2ccccc12 |w:7.6|
Show InChI InChI=1S/C20H23NO4/c1-3-5-12-21-14-15(17-8-6-7-9-18(17)21)10-11-16(22)13-19(23)20(24)25-4-2/h6-11,14H,3-5,12-13H2,1-2H3
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Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442247
PNG
(CHEMBL2441990)
Show SMILES CCCn1cc(C=CC(=O)CC(=O)C(=O)OCC)c2ccccc12 |w:6.5|
Show InChI InChI=1S/C19H21NO4/c1-3-11-20-13-14(16-7-5-6-8-17(16)20)9-10-15(21)12-18(22)19(23)24-4-2/h5-10,13H,3-4,11-12H2,1-2H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442249
PNG
(CHEMBL2441989)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cc(cn1Cc1ccc(cc1)C#N)C(=O)c1ccccc1 |w:9.9|
Show InChI InChI=1S/C25H18N2O5/c26-14-17-6-8-18(9-7-17)15-27-16-20(24(30)19-4-2-1-3-5-19)12-21(27)10-11-22(28)13-23(29)25(31)32/h1-12,16H,13,15H2,(H,31,32)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442250
PNG
(CHEMBL2441988)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cc(cn1Cc1ccc(F)cc1)C(=O)c1ccccc1 |w:9.9|
Show InChI InChI=1S/C24H18FNO5/c25-19-8-6-16(7-9-19)14-26-15-18(23(29)17-4-2-1-3-5-17)12-20(26)10-11-21(27)13-22(28)24(30)31/h1-12,15H,13-14H2,(H,30,31)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442253
PNG
(CHEMBL2441985)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1cccc(F)c1 |w:9.9|
Show InChI InChI=1S/C17H12FNO5/c18-12-3-1-2-10(6-12)16(22)11-7-13(19-9-11)4-5-14(20)8-15(21)17(23)24/h1-7,9,19H,8H2,(H,23,24)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442254
PNG
(CHEMBL2441984)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccc(F)cc1 |w:9.9|
Show InChI InChI=1S/C17H12FNO5/c18-12-3-1-10(2-4-12)16(22)11-7-13(19-9-11)5-6-14(20)8-15(21)17(23)24/h1-7,9,19H,8H2,(H,23,24)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442248
PNG
(CHEMBL2441983)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccccc1F |w:9.9|
Show InChI InChI=1S/C17H12FNO5/c18-14-4-2-1-3-13(14)16(22)10-7-11(19-9-10)5-6-12(20)8-15(21)17(23)24/h1-7,9,19H,8H2,(H,23,24)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442255
PNG
(CHEMBL2441982)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cc(cn1Cc1ccc(cc1)C#N)C(=O)c1ccccc1 |w:11.11|
Show InChI InChI=1S/C27H22N2O5/c1-2-34-27(33)25(31)15-24(30)13-12-23-14-22(26(32)21-6-4-3-5-7-21)18-29(23)17-20-10-8-19(16-28)9-11-20/h3-14,18H,2,15,17H2,1H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442251
PNG
(CHEMBL2441987)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cc(cn1Cc1ccccc1)C(=O)c1ccccc1 |w:9.9|
Show InChI InChI=1S/C24H19NO5/c26-21(14-22(27)24(29)30)12-11-20-13-19(23(28)18-9-5-2-6-10-18)16-25(20)15-17-7-3-1-4-8-17/h1-13,16H,14-15H2,(H,29,30)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442212
PNG
(CHEMBL2441977)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccccc1F |w:11.11|
Show InChI InChI=1S/C19H16FNO5/c1-2-26-19(25)17(23)10-14(22)8-7-13-9-12(11-21-13)18(24)15-5-3-4-6-16(15)20/h3-9,11,21H,2,10H2,1H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50442211
PNG
(CHEMBL2441978)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccc(F)cc1 |w:11.11|
Show InChI InChI=1S/C19H16FNO5/c1-2-26-19(25)17(23)10-16(22)8-7-15-9-13(11-21-15)18(24)12-3-5-14(20)6-4-12/h3-9,11,21H,2,10H2,1H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
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