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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'furman' and Initial = 'pa'   
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
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50480722
PNG
(CHEMBL373691)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(N)nc1=O |r|
Show InChI InChI=1S/C10H17FN3O13P3/c1-10(11)7(15)5(25-8(10)14-3-2-6(12)13-9(14)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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310n/an/an/an/an/an/an/an/a



Pharmasset, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase S282T mutant assessed as incorporation of [alpha32P]UTP into newly synthesized RNA by liquid scintillation counting


Antimicrob Agents Chemother 52: 458-64 (2008)


Article DOI: 10.1128/aac.01184-07
BindingDB Entry DOI: 10.7270/Q21N83Z9
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50333129
PNG
(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1...)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16FN2O14P3/c1-10(11)7(15)5(25-8(10)13-3-2-6(14)12-9(13)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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2.20E+4n/an/an/an/an/an/an/an/a



Pharmasset, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase S282T mutant assessed as incorporation of [alpha32P]UTP into newly synthesized RNA by liquid scintillation counting


Antimicrob Agents Chemother 52: 458-64 (2008)


Article DOI: 10.1128/aac.01184-07
BindingDB Entry DOI: 10.7270/Q21N83Z9
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50495953
PNG
(CHEMBL3121385)
Show SMILES COc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@@]1(C)F |r|
Show InChI InChI=1S/C12H19FN5O13P3/c1-12(13)7(19)5(3-28-33(23,24)31-34(25,26)30-32(20,21)22)29-10(12)18-4-15-6-8(18)16-11(14)17-9(6)27-2/h4-5,7,10,19H,3H2,1-2H3,(H,23,24)(H,25,26)(H2,14,16,17)(H2,20,21,22)/t5-,7-,10-,12-/m1/s1
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n/an/a 5.31E+3n/an/an/an/an/an/a



Pharmasset, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b recombinant NS5B RNA dependent RNA polymerase S282T mutant using IRES RNA as substrate after 30 mins by radioactive ass...


J Med Chem 57: 1826-35 (2014)


Article DOI: 10.1021/jm401224y
BindingDB Entry DOI: 10.7270/Q2JQ140V
More data for this
Ligand-Target Pair
NS5B


(Hepatitis C virus)
BDBM50332459
PNG
(((2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)...)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O |r|
Show InChI InChI=1S/C11H17FN5O13P3/c1-11(12)6(18)4(2-27-32(23,24)30-33(25,26)29-31(20,21)22)28-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19/h3-4,6,9,18H,2H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t4-,6-,9-,11-/m1/s1
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n/an/a 5.94E+3n/an/an/an/an/an/a



Pharmasset, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase


Bioorg Med Chem Lett 20: 7376-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.035
BindingDB Entry DOI: 10.7270/Q2222V1G
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50495954
PNG
(CHEMBL3121384)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@]11CCO1 |r|
Show InChI InChI=1S/C12H18N5O14P3/c13-11-15-8-6(9(19)16-11)14-4-17(8)10-12(1-2-27-12)7(18)5(29-10)3-28-33(23,24)31-34(25,26)30-32(20,21)22/h4-5,7,10,18H,1-3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t5-,7-,10-,12-/m1/s1
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n/an/a 1.04E+4n/an/an/an/an/an/a



Pharmasset, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b recombinant NS5B RNA dependent RNA polymerase S282T mutant using IRES RNA as substrate after 30 mins by radioactive ass...


J Med Chem 57: 1826-35 (2014)


Article DOI: 10.1021/jm401224y
BindingDB Entry DOI: 10.7270/Q2JQ140V
More data for this
Ligand-Target Pair
DNA polymerase alpha 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 1.60E+4n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper bindin...


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50495956
PNG
(CHEMBL223482 | PS-6130)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O |r|
Show InChI InChI=1S/C10H14FN3O4/c1-10(11)7(16)5(4-15)18-8(10)14-3-2-6(12)13-9(14)17/h2-3,5,7-8,15-16H,4H2,1H3,(H2,12,13,17)/t5-,7-,8-,10-/m1/s1
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n/an/a 5.67E+4n/an/an/an/an/an/a



Pharmasset, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b recombinant NS5B RNA dependent RNA polymerase S282T mutant using IRES RNA as substrate after 30 mins by radioactive ass...


J Med Chem 57: 1826-35 (2014)


Article DOI: 10.1021/jm401224y
BindingDB Entry DOI: 10.7270/Q2JQ140V
More data for this
Ligand-Target Pair
DNA polymerase subunit gamma-1


(Homo sapiens (Human))
BDBM50333127
PNG
((beta-D-2',3'-dideoxy-5'-F-cytidine-5'-triphosphat...)
Show SMILES Nc1ccn([C@H]2CC[C@H](O2)[C@@H](F)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)c(=O)n1 |r|
Show InChI InChI=1S/C9H15FN3O12P3/c10-8(23-27(18,19)25-28(20,21)24-26(15,16)17)5-1-2-7(22-5)13-4-3-6(11)12-9(13)14/h3-5,7-8H,1-2H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,7+,8-/m0/s1
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n/an/a 8.50E+4n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase gamma assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper bindin...


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50495952
PNG
(CHEMBL3121489)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@]11CCO1 |r|
Show InChI InChI=1S/C11H17N2O15P3/c14-7-1-3-13(10(16)12-7)9-11(2-4-24-11)8(15)6(26-9)5-25-30(20,21)28-31(22,23)27-29(17,18)19/h1,3,6,8-9,15H,2,4-5H2,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t6-,8-,9-,11-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pharmasset, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b recombinant NS5B RNA dependent RNA polymerase S282T mutant using IRES RNA as substrate after 30 mins by radioactive ass...


J Med Chem 57: 1826-35 (2014)


Article DOI: 10.1021/jm401224y
BindingDB Entry DOI: 10.7270/Q2JQ140V
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50495957
PNG
(CHEMBL3121492)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@]22CCO2)c(=O)n1 |r|
Show InChI InChI=1S/C11H18N3O14P3/c12-7-1-3-14(10(16)13-7)9-11(2-4-24-11)8(15)6(26-9)5-25-30(20,21)28-31(22,23)27-29(17,18)19/h1,3,6,8-9,15H,2,4-5H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t6-,8-,9-,11-/m1/s1
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Pharmasset, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b recombinant NS5B RNA dependent RNA polymerase S282T mutant using IRES RNA as substrate after 30 mins by radioactive ass...


J Med Chem 57: 1826-35 (2014)


Article DOI: 10.1021/jm401224y
BindingDB Entry DOI: 10.7270/Q2JQ140V
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50495955
PNG
(CHEMBL3121493)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@]22CCCO2)c(=O)n1 |r|
Show InChI InChI=1S/C12H20N3O14P3/c13-8-2-4-15(11(17)14-8)10-12(3-1-5-25-12)9(16)7(27-10)6-26-31(21,22)29-32(23,24)28-30(18,19)20/h2,4,7,9-10,16H,1,3,5-6H2,(H,21,22)(H,23,24)(H2,13,14,17)(H2,18,19,20)/t7-,9-,10-,12-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pharmasset, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b recombinant NS5B RNA dependent RNA polymerase S282T mutant using IRES RNA as substrate after 30 mins by radioactive ass...


J Med Chem 57: 1826-35 (2014)


Article DOI: 10.1021/jm401224y
BindingDB Entry DOI: 10.7270/Q2JQ140V
More data for this
Ligand-Target Pair
DNA polymerase beta


(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>1.00E+5n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper binding...


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
DNA polymerase subunit gamma-1


(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>1.00E+5n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase gamma assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper bindin...


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase II subunit RPB1


(Homo sapiens (Human))
BDBM50333128
PNG
(((2S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human RNA polymerase 2


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase II subunit RPB1


(Homo sapiens (Human))
BDBM50333129
PNG
(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1...)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16FN2O14P3/c1-10(11)7(15)5(25-8(10)13-3-2-6(14)12-9(13)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human RNA polymerase 2


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50333127
PNG
((beta-D-2',3'-dideoxy-5'-F-cytidine-5'-triphosphat...)
Show SMILES Nc1ccn([C@H]2CC[C@H](O2)[C@@H](F)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)c(=O)n1 |r|
Show InChI InChI=1S/C9H15FN3O12P3/c10-8(23-27(18,19)25-28(20,21)24-26(15,16)17)5-1-2-7(22-5)13-4-3-6(11)12-9(13)14/h3-5,7-8H,1-2H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,7+,8-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper bindin...


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50333129
PNG
(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1...)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16FN2O14P3/c1-10(11)7(15)5(25-8(10)13-3-2-6(14)12-9(13)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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n/an/a 5.50E+5n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper bindin...


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
DNA polymerase subunit gamma-1


(Homo sapiens (Human))
BDBM50333129
PNG
(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1...)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16FN2O14P3/c1-10(11)7(15)5(25-8(10)13-3-2-6(14)12-9(13)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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KEGG
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UniChem

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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase gamma assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper bindin...


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50333129
PNG
(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1...)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16FN2O14P3/c1-10(11)7(15)5(25-8(10)13-3-2-6(14)12-9(13)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper binding...


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair