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PubMed code 16274990

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176475
PNG
(((R)-5-cyano-6-fluoro-8-methyl-1-propyl-3,4-dihydr...)
Show SMILES CCC[C@]1(CC(O)=O)OCCc2c1sc1c(C)cc(F)c(C#N)c21
Show InChI InChI=1S/C18H18FNO3S/c1-3-5-18(8-14(21)22)17-11(4-6-23-18)15-12(9-20)13(19)7-10(2)16(15)24-17/h7H,3-6,8H2,1-2H3,(H,21,22)/t18-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176486
PNG
((5-cyano-6-fluoro-8-methyl-1-propyl-3,4-dihydro-1H...)
Show SMILES CCCC1(CC(O)=O)OCCc2c1sc1c(C)cc(F)c(C#N)c21
Show InChI InChI=1S/C18H18FNO3S/c1-3-5-18(8-14(21)22)17-11(4-6-23-18)15-12(9-20)13(19)7-10(2)16(15)24-17/h7H,3-6,8H2,1-2H3,(H,21,22)
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n/an/a 130n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176480
PNG
((5,8-dichloro-1-propyl-3,4-dihydro-1H-benzo[4,5]th...)
Show SMILES CCCC1(CC(O)=O)OCCc2c1sc1c(Cl)ccc(Cl)c21
Show InChI InChI=1S/C16H16Cl2O3S/c1-2-6-16(8-12(19)20)15-9(5-7-21-16)13-10(17)3-4-11(18)14(13)22-15/h3-4H,2,5-8H2,1H3,(H,19,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176488
PNG
(((R)-5-cyano-8-methyl-1-propyl-3,4-dihydro-1H-benz...)
Show SMILES CCC[C@]1(CC(O)=O)OCCc2c1sc1c(C)ccc(C#N)c21
Show InChI InChI=1S/C18H19NO3S/c1-3-7-18(9-14(20)21)17-13(6-8-22-18)15-12(10-19)5-4-11(2)16(15)23-17/h4-5H,3,6-9H2,1-2H3,(H,20,21)/t18-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176479
PNG
((5-bromo-8-methyl-1-propyl-3,4-dihydro-1H-benzo[4,...)
Show SMILES CCCC1(CC(O)=O)OCCc2c1sc1c(C)ccc(Br)c21
Show InChI InChI=1S/C17H19BrO3S/c1-3-7-17(9-13(19)20)16-11(6-8-21-17)14-12(18)5-4-10(2)15(14)22-16/h4-5H,3,6-9H2,1-2H3,(H,19,20)
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n/an/a 190n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176476
PNG
((5-cyano-8-methyl-1-propyl-3,4-dihydro-1H-benzo[4,...)
Show SMILES CCCC1(CC(O)=O)OCCc2c1sc1c(C)ccc(C#N)c21
Show InChI InChI=1S/C18H19NO3S/c1-3-7-18(9-14(20)21)17-13(6-8-22-18)15-12(10-19)5-4-11(2)16(15)23-17/h4-5H,3,6-9H2,1-2H3,(H,20,21)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176483
PNG
((1-butyl-5,8-dichloro-3,4-dihydro-1H-benzo[4,5]thi...)
Show SMILES CCCCC1(CC(O)=O)OCCc2c1sc1c(Cl)ccc(Cl)c21
Show InChI InChI=1S/C17H18Cl2O3S/c1-2-3-7-17(9-13(20)21)16-10(6-8-22-17)14-11(18)4-5-12(19)15(14)23-16/h4-5H,2-3,6-9H2,1H3,(H,20,21)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176489
PNG
((5,8-dichloro-1-propyl-3,4-dihydro-1H-benzo[4,5]fu...)
Show SMILES CCCC1(CC(O)=O)OCCc2c1oc1c(Cl)ccc(Cl)c21
Show InChI InChI=1S/C16H16Cl2O4/c1-2-6-16(8-12(19)20)15-9(5-7-21-16)13-10(17)3-4-11(18)14(13)22-15/h3-4H,2,5-8H2,1H3,(H,19,20)
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n/an/a 1.49E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176481
PNG
((5,8-dichloro-1-ethyl-3,4-dihydro-1H-benzo[4,5]thi...)
Show SMILES CCC1(CC(O)=O)OCCc2c1sc1c(Cl)ccc(Cl)c21
Show InChI InChI=1S/C15H14Cl2O3S/c1-2-15(7-11(18)19)14-8(5-6-20-15)12-9(16)3-4-10(17)13(12)21-14/h3-4H,2,5-7H2,1H3,(H,18,19)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176485
PNG
(((S)-5-cyano-8-methyl-1-propyl-3,4-dihydro-1H-benz...)
Show SMILES CCC[C@@]1(CC(O)=O)OCCc2c1sc1c(C)ccc(C#N)c21
Show InChI InChI=1S/C18H19NO3S/c1-3-7-18(9-14(20)21)17-13(6-8-22-18)15-12(10-19)5-4-11(2)16(15)23-17/h4-5H,3,6-9H2,1-2H3,(H,20,21)/t18-/m0/s1
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n/an/a 2.85E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176482
PNG
((1-butyl-5,8-dichloro-3,4-dihydro-1H-benzo[4,5]fur...)
Show SMILES CCCCC1(CC(O)=O)OCCc2c1oc1c(Cl)ccc(Cl)c21
Show InChI InChI=1S/C17H18Cl2O4/c1-2-3-7-17(9-13(20)21)16-10(6-8-22-17)14-11(18)4-5-12(19)15(14)23-16/h4-5H,2-3,6-9H2,1H3,(H,20,21)
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n/an/a 4.46E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176487
PNG
(((S)-5-cyano-6-fluoro-8-methyl-1-propyl-3,4-dihydr...)
Show SMILES CCC[C@@]1(CC(O)=O)OCCc2c1sc1c(C)cc(F)c(C#N)c21
Show InChI InChI=1S/C18H18FNO3S/c1-3-5-18(8-14(21)22)17-11(4-6-23-18)15-12(9-20)13(19)7-10(2)16(15)24-17/h7H,3-6,8H2,1-2H3,(H,21,22)/t18-/m0/s1
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n/an/a 5.36E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176490
PNG
((5,8-dichloro-1-ethyl-3,4-dihydro-1H-benzo[4,5]fur...)
Show SMILES CCC1(CC(O)=O)OCCc2c1oc1c(Cl)ccc(Cl)c21
Show InChI InChI=1S/C15H14Cl2O4/c1-2-15(7-11(18)19)14-8(5-6-20-15)12-9(16)3-4-10(17)13(12)21-14/h3-4H,2,5-7H2,1H3,(H,18,19)
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n/an/a 1.63E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176477
PNG
((5,8-dichloro-1-methyl-3,4-dihydro-1H-benzo[4,5]th...)
Show SMILES CC1(CC(O)=O)OCCc2c1sc1c(Cl)ccc(Cl)c21
Show InChI InChI=1S/C14H12Cl2O3S/c1-14(6-10(17)18)13-7(4-5-19-14)11-8(15)2-3-9(16)12(11)20-13/h2-3H,4-6H2,1H3,(H,17,18)
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n/an/a 1.76E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176491
PNG
((1-propyl-3,4-dihydro-1H-benzo[4,5]thieno[2,3-c]py...)
Show SMILES CCCC1(CC(O)=O)OCCc2c1sc1ccccc21
Show InChI InChI=1S/C16H18O3S/c1-2-8-16(10-14(17)18)15-12(7-9-19-16)11-5-3-4-6-13(11)20-15/h3-6H,2,7-10H2,1H3,(H,17,18)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176484
PNG
((1-propyl-3,4-dihydro-1H-benzo[4,5]furo[2,3-c]pyra...)
Show SMILES CCCC1(CC(O)=O)OCCc2c1oc1ccccc21
Show InChI InChI=1S/C16H18O4/c1-2-8-16(10-14(17)18)15-12(7-9-19-16)11-5-3-4-6-13(11)20-15/h3-6H,2,7-10H2,1H3,(H,17,18)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176478
PNG
((6-fluoro-8-methyl-1-propyl-3,4-dihydro-1H-benzo[4...)
Show SMILES CCCC1(CC(O)=O)OCCc2c1sc1c(C)cc(F)cc21
Show InChI InChI=1S/C17H19FO3S/c1-3-5-17(9-14(19)20)16-12(4-6-21-17)13-8-11(18)7-10(2)15(13)22-16/h7-8H,3-6,9H2,1-2H3,(H,19,20)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176474
PNG
((5,8-dichloro-1-methyl-3,4-dihydro-1H-benzo[4,5]fu...)
Show SMILES CC1(CC(O)=O)OCCc2c1oc1c(Cl)ccc(Cl)c21
Show InChI InChI=1S/C14H12Cl2O4/c1-14(6-10(17)18)13-7(4-5-19-14)11-8(15)2-3-9(16)12(11)20-13/h2-3H,4-6H2,1H3,(H,17,18)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50176475
PNG
(((R)-5-cyano-6-fluoro-8-methyl-1-propyl-3,4-dihydr...)
Show SMILES CCC[C@]1(CC(O)=O)OCCc2c1sc1c(C)cc(F)c(C#N)c21
Show InChI InChI=1S/C18H18FNO3S/c1-3-5-18(8-14(21)22)17-11(4-6-23-18)15-12(9-20)13(19)7-10(2)16(15)24-17/h7H,3-6,8H2,1-2H3,(H,21,22)/t18-/m1/s1
PDB
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n/an/a>7.50E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCV NS3 helicase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50176475
PNG
(((R)-5-cyano-6-fluoro-8-methyl-1-propyl-3,4-dihydr...)
Show SMILES CCC[C@]1(CC(O)=O)OCCc2c1sc1c(C)cc(F)c(C#N)c21
Show InChI InChI=1S/C18H18FNO3S/c1-3-5-18(8-14(21)22)17-11(4-6-23-18)15-12(9-20)13(19)7-10(2)16(15)24-17/h7H,3-6,8H2,1-2H3,(H,21,22)/t18-/m1/s1
PDB
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HIV reverse transcriptase


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50176475
PNG
(((R)-5-cyano-6-fluoro-8-methyl-1-propyl-3,4-dihydr...)
Show SMILES CCC[C@]1(CC(O)=O)OCCc2c1sc1c(C)cc(F)c(C#N)c21
Show InChI InChI=1S/C18H18FNO3S/c1-3-5-18(8-14(21)22)17-11(4-6-23-18)15-12(9-20)13(19)7-10(2)16(15)24-17/h7H,3-6,8H2,1-2H3,(H,21,22)/t18-/m1/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Reduction of viral RNA and protein in Huh7 cells containing HCV sub-genomic replicon


Bioorg Med Chem Lett 16: 457-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.114
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%