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Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'tran' and Initial = 'cv'   
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
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30407
PNG
(5-hydroxy- 3(2H)-pyridazinone, 2 | BMCL185002 Comp...)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:17|
Show InChI InChI=1S/C21H23N5O6S3/c1-12(2)8-9-26-21(28)17(19(27)18(23-26)15-5-4-10-33-15)20-22-14-7-6-13(24-34(3,29)30)11-16(14)35(31,32)25-20/h4-7,10-12,24,27H,8-9H2,1-3H3,(H,22,25)
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n/an/a<10n/a 5n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30544
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4ap)
Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)c(Cl)c1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25|
Show InChI InChI=1S/C23H22ClFN4O6S2/c1-36(32,33)27-13-6-8-17-19(10-13)37(34,35)28-22(26-17)20-21(30)14-3-2-4-18(14)29(23(20)31)11-12-5-7-16(25)15(24)9-12/h5-10,14,18,20,27H,2-4,11H2,1H3,(H,26,28)/t14-,18+,20?/m1/s1
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n/an/a<10n/a 55n/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30415
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3h)
Show SMILES CC(C)(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C21H25N5O6S2/c1-21(2,3)9-11-26-20(28)17(18(27)15-6-5-10-25(15)26)19-22-14-8-7-13(23-33(4,29)30)12-16(14)34(31,32)24-19/h5-8,10,12,23,27H,9,11H2,1-4H3,(H,22,24)
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n/an/a<10n/a 5n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30418
PNG
(BMCL185002 Compound 3a | BMCL19451 Compound 2 | py...)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(Cc2ccc(F)cc2)c1=O |c:9|
Show InChI InChI=1S/C22H18FN5O6S2/c1-35(31,32)25-15-8-9-16-18(11-15)36(33,34)26-21(24-16)19-20(29)17-3-2-10-27(17)28(22(19)30)12-13-4-6-14(23)7-5-13/h2-11,25,29H,12H2,1H3,(H,24,26)
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n/an/a<10n/a 12n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30448
PNG
(benzothiazine-containing analog, 3a | pyridazin-3-...)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O |t:17|
Show InChI InChI=1S/C22H24N4O6S3/c1-13(2)8-9-26-22(28)19(21(27)20(24-26)17-5-4-10-33-17)16-12-35(31,32)18-11-14(25-34(3,29)30)6-7-15(18)23-16/h4-7,10-11,13,25,27H,8-9,12H2,1-3H3
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n/an/a<10n/a 1.10n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30458
PNG
(benzothiazine-containing analog, 3b)
Show SMILES CCC(C)(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O |t:19|
Show InChI InChI=1S/C24H28N4O6S3/c1-5-24(2,3)10-11-28-23(30)20(22(29)21(26-28)18-7-6-12-35-18)17-14-37(33,34)19-13-15(27-36(4,31)32)8-9-16(19)25-17/h6-9,12-13,27,29H,5,10-11,14H2,1-4H3
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n/an/a<10n/a 2.70n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30410
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3c)
Show SMILES CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:15|
Show InChI InChI=1S/C20H23N5O6S2/c1-12(2)8-10-25-20(27)17(18(26)15-5-4-9-24(15)25)19-21-14-7-6-13(22-32(3,28)29)11-16(14)33(30,31)23-19/h4-7,9,11-12,22,26H,8,10H2,1-3H3,(H,21,23)
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n/an/a<10n/a 8.5n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30543
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4ao)
Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)c(F)c1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25|
Show InChI InChI=1S/C23H22F2N4O6S2/c1-36(32,33)27-13-6-8-17-19(10-13)37(34,35)28-22(26-17)20-21(30)14-3-2-4-18(14)29(23(20)31)11-12-5-7-15(24)16(25)9-12/h5-10,14,18,20,27H,2-4,11H2,1H3,(H,26,28)/t14-,18+,20?/m1/s1
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n/an/a<10n/a 45n/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30542
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4an)
Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)c(C)c1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25|
Show InChI InChI=1S/C24H25FN4O6S2/c1-13-10-14(6-8-17(13)25)12-29-19-5-3-4-16(19)22(30)21(24(29)31)23-26-18-9-7-15(27-36(2,32)33)11-20(18)37(34,35)28-23/h6-11,16,19,21,27H,3-5,12H2,1-2H3,(H,26,28)/t16-,19+,21?/m1/s1
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n/an/a<10n/a 34n/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30541
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4am)
Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1cccc(C)c1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:24|
Show InChI InChI=1S/C24H26N4O6S2/c1-14-5-3-6-15(11-14)13-28-19-8-4-7-17(19)22(29)21(24(28)30)23-25-18-10-9-16(26-35(2,31)32)12-20(18)36(33,34)27-23/h3,5-6,9-12,17,19,21,26H,4,7-8,13H2,1-2H3,(H,25,27)/t17-,19+,21?/m1/s1
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n/an/a<10n/a 160n/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30538
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4aj)
Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2CCC(C)(C)C)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:21|
Show InChI InChI=1S/C22H30N4O6S2/c1-22(2,3)10-11-26-16-7-5-6-14(16)19(27)18(21(26)28)20-23-15-9-8-13(24-33(4,29)30)12-17(15)34(31,32)25-20/h8-9,12,14,16,18,24H,5-7,10-11H2,1-4H3,(H,23,25)/t14-,16+,18?/m1/s1
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n/an/a<10n/a 9n/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30537
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4ai)
Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2CCC(C)C)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:20|
Show InChI InChI=1S/C21H28N4O6S2/c1-12(2)9-10-25-16-6-4-5-14(16)19(26)18(21(25)27)20-22-15-8-7-13(23-32(3,28)29)11-17(15)33(30,31)24-20/h7-8,11-12,14,16,18,23H,4-6,9-10H2,1-3H3,(H,22,24)/t14-,16+,18?/m1/s1
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n/an/a<10n/a 32n/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30466
PNG
(benzothiazine-containing analog, 4a)
Show SMILES CC(C)(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O |t:16|
Show InChI InChI=1S/C22H26N4O6S2/c1-22(2,3)9-11-26-21(28)19(20(27)17-6-5-10-25(17)26)16-13-34(31,32)18-12-14(24-33(4,29)30)7-8-15(18)23-16/h5-8,10,12,24,27H,9,11,13H2,1-4H3
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n/an/a<10n/a 1.5n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30490
PNG
(1,1-dioxoisothiazole analog., 34)
Show SMILES CC(C)(C)[C@@H]1N(Cc2ccc(F)c(Cl)c2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2CNS(C)(=O)=O |r,w:17.18|
Show InChI InChI=1S/C24H25ClFN3O6S2/c1-24(2,3)22-20(30)18(23(31)29(22)12-13-8-9-17(26)16(25)10-13)19-15-7-5-6-14(11-27-36(4,32)33)21(15)37(34,35)28-19/h5-10,22,27-28H,11-12H2,1-4H3/t22-/m1/s1
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n/an/a<10n/a 70n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30504
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4d)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(Cc2ccc(F)cc2)C1=O |c:9|
Show InChI InChI=1S/C23H23FN4O6S2/c1-35(31,32)26-15-9-10-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-3-2-4-18(16)28(23(20)30)12-13-5-7-14(24)8-6-13/h5-11,16,18,20,26H,2-4,12H2,1H3,(H,25,27)
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n/an/a<10n/a 23n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30508
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4h)
Show SMILES CC(C)(C)CCN1C2CCCC2C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:19|
Show InChI InChI=1S/C22H30N4O6S2/c1-22(2,3)10-11-26-16-7-5-6-14(16)19(27)18(21(26)28)20-23-15-9-8-13(24-33(4,29)30)12-17(15)34(31,32)25-20/h8-9,12,14,16,18,24H,5-7,10-11H2,1-4H3,(H,23,25)
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n/an/a<10n/a 24n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30516
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4p)
Show SMILES CC(C)CCN1C2CCCC2C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O |t:15|
Show InChI InChI=1S/C21H28N4O6S2/c1-12(2)9-10-25-16-6-4-5-14(16)19(26)18(21(25)27)20-22-15-8-7-13(23-32(3,28)29)11-17(15)33(30,31)24-20/h7-8,11-12,14,16,18,23H,4-6,9-10H2,1-3H3,(H,22,24)
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n/an/a<10n/a 60n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30530
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4ad)
Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)cc1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:24|
Show InChI InChI=1S/C23H23FN4O6S2/c1-35(31,32)26-15-9-10-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-3-2-4-18(16)28(23(20)30)12-13-5-7-14(24)8-6-13/h5-11,16,18,20,26H,2-4,12H2,1H3,(H,25,27)/t16-,18+,20?/m1/s1
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n/an/a<10n/a 16n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30418
PNG
(BMCL185002 Compound 3a | BMCL19451 Compound 2 | py...)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(Cc2ccc(F)cc2)c1=O |c:9|
Show InChI InChI=1S/C22H18FN5O6S2/c1-35(31,32)25-15-8-9-16-18(11-15)36(33,34)26-21(24-16)19-20(29)17-3-2-10-27(17)28(22(19)30)12-13-4-6-14(23)7-5-13/h2-11,25,29H,12H2,1H3,(H,24,26)
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n/an/a<10n/a 12n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30452
PNG
(Hexahydro-pyrrolo[1,2-b]pyridazin-2-one, 3 | hexah...)
Show SMILES CC(C)(C)CCN1N2CCCC2C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O |t:16|
Show InChI InChI=1S/C21H29N5O6S2/c1-21(2,3)9-11-26-20(28)17(18(27)15-6-5-10-25(15)26)19-22-14-8-7-13(23-33(4,29)30)12-16(14)34(31,32)24-19/h7-8,12,15,17,23H,5-6,9-11H2,1-4H3,(H,22,24)
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n/an/a<10n/a 34n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30460
PNG
(benzothiazine-containing analog, 3d)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(CS(=O)(=O)c2c1)c1c(O)c(nn(CC2CC2)c1=O)-c1cccs1 |c:9|
Show InChI InChI=1S/C21H20N4O6S3/c1-33(28,29)24-13-6-7-14-17(9-13)34(30,31)11-15(22-14)18-20(26)19(16-3-2-8-32-16)23-25(21(18)27)10-12-4-5-12/h2-3,6-9,12,24,26H,4-5,10-11H2,1H3
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n/an/a 15n/a 3.5n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30495
PNG
(1,1-dioxoisothiazole analog., 39)
Show SMILES CC(C)(C)CCN1[C@H](C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2CNS(C)(=O)=O)C(C)(C)C |r,w:10.9|
Show InChI InChI=1S/C23H33N3O6S2/c1-22(2,3)11-12-26-20(23(4,5)6)18(27)16(21(26)28)17-15-10-8-9-14(13-24-33(7,29)30)19(15)34(31,32)25-17/h8-10,20,24-25H,11-13H2,1-7H3/t20-/m1/s1
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n/an/a 18n/a 350n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30461
PNG
(benzothiazine-containing analog, 3e)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(CS(=O)(=O)c2c1)c1c(O)c(nn(Cc2ccccc2)c1=O)-c1cccs1 |c:9|
Show InChI InChI=1S/C24H20N4O6S3/c1-36(31,32)27-16-9-10-17-20(12-16)37(33,34)14-18(25-17)21-23(29)22(19-8-5-11-35-19)26-28(24(21)30)13-15-6-3-2-4-7-15/h2-12,27,29H,13-14H2,1H3
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n/an/a 18n/a 36n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30523
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4w)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(Cc2cccc(F)c2)C1=O |c:9|
Show InChI InChI=1S/C23H23FN4O6S2/c1-35(31,32)26-15-8-9-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-6-3-7-18(16)28(23(20)30)12-13-4-2-5-14(24)10-13/h2,4-5,8-11,16,18,20,26H,3,6-7,12H2,1H3,(H,25,27)
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n/an/a 20n/a 170n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30505
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4e)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCCC2N(Cc2ccc(F)cc2)C1=O |c:9|
Show InChI InChI=1S/C24H25FN4O6S2/c1-36(32,33)27-16-10-11-18-20(12-16)37(34,35)28-23(26-18)21-22(30)17-4-2-3-5-19(17)29(24(21)31)13-14-6-8-15(25)9-7-14/h6-12,17,19,21,27H,2-5,13H2,1H3,(H,26,28)
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n/an/a 22n/a 150n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30491
PNG
(1,1-dioxoisothiazole analog., 35)
Show SMILES CN(Cc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(Cc2ccc(F)c(Cl)c2)C1=O)C(C)(C)C)S(C)(=O)=O |r,w:14.16|
Show InChI InChI=1S/C25H27ClFN3O6S2/c1-25(2,3)23-21(31)19(24(32)30(23)12-14-9-10-18(27)17(26)11-14)20-16-8-6-7-15(13-29(4)37(5,33)34)22(16)38(35,36)28-20/h6-11,23,28H,12-13H2,1-5H3/t23-/m1/s1
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n/an/a 23n/a 90n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM30516
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4p)
Show SMILES CC(C)CCN1C2CCCC2C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O |t:15|
Show InChI InChI=1S/C21H28N4O6S2/c1-12(2)9-10-25-16-6-4-5-14(16)19(26)18(21(25)27)20-22-15-8-7-13(23-32(3,28)29)11-17(15)33(30,31)24-20/h7-8,11-12,14,16,18,23H,4-6,9-10H2,1-3H3,(H,22,24)
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Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme (NS5B H77 1a), RNA substrate, and [alpha-33P]GTP/GTP with inhibitor c...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM30530
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4ad)
Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)cc1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:24|
Show InChI InChI=1S/C23H23FN4O6S2/c1-35(31,32)26-15-9-10-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-3-2-4-18(16)28(23(20)30)12-13-5-7-14(24)8-6-13/h5-11,16,18,20,26H,2-4,12H2,1H3,(H,25,27)/t16-,18+,20?/m1/s1
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n/an/a<25n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme (NS5B H77 1a), RNA substrate, and [alpha-33P]GTP/GTP with inhibitor c...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30419
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3l)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(Cc2ccc(F)c(Cl)c2)c1=O |c:9|
Show InChI InChI=1S/C22H17ClFN5O6S2/c1-36(32,33)26-13-5-7-16-18(10-13)37(34,35)27-21(25-16)19-20(30)17-3-2-8-28(17)29(22(19)31)11-12-4-6-15(24)14(23)9-12/h2-10,26,30H,11H2,1H3,(H,25,27)
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n/an/a 25n/a 22n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM30538
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4aj)
Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2CCC(C)(C)C)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:21|
Show InChI InChI=1S/C22H30N4O6S2/c1-22(2,3)10-11-26-16-7-5-6-14(16)19(27)18(21(26)28)20-23-15-9-8-13(24-33(4,29)30)12-17(15)34(31,32)25-20/h8-9,12,14,16,18,24H,5-7,10-11H2,1-4H3,(H,23,25)/t14-,16+,18?/m1/s1
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n/an/a<25n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme (NS5B H77 1a), RNA substrate, and [alpha-33P]GTP/GTP with inhibitor c...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM30504
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4d)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(Cc2ccc(F)cc2)C1=O |c:9|
Show InChI InChI=1S/C23H23FN4O6S2/c1-35(31,32)26-15-9-10-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-3-2-4-18(16)28(23(20)30)12-13-5-7-14(24)8-6-13/h5-11,16,18,20,26H,2-4,12H2,1H3,(H,25,27)
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n/an/a<25n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme (NS5B H77 1a), RNA substrate, and [alpha-33P]GTP/GTP with inhibitor c...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM30508
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4h)
Show SMILES CC(C)(C)CCN1C2CCCC2C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:19|
Show InChI InChI=1S/C22H30N4O6S2/c1-22(2,3)10-11-26-16-7-5-6-14(16)19(27)18(21(26)28)20-23-15-9-8-13(24-33(4,29)30)12-17(15)34(31,32)25-20/h8-9,12,14,16,18,24H,5-7,10-11H2,1-4H3,(H,23,25)
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n/an/a<25n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme (NS5B H77 1a), RNA substrate, and [alpha-33P]GTP/GTP with inhibitor c...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM30418
PNG
(BMCL185002 Compound 3a | BMCL19451 Compound 2 | py...)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(Cc2ccc(F)cc2)c1=O |c:9|
Show InChI InChI=1S/C22H18FN5O6S2/c1-35(31,32)25-15-8-9-16-18(11-15)36(33,34)26-21(24-16)19-20(29)17-3-2-10-27(17)28(22(19)30)12-13-4-6-14(23)7-5-13/h2-11,25,29H,12H2,1H3,(H,24,26)
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n/an/a<25n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme (NS5B H77 1a), RNA substrate, and [alpha-33P]GTP/GTP with inhibitor c...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM30452
PNG
(Hexahydro-pyrrolo[1,2-b]pyridazin-2-one, 3 | hexah...)
Show SMILES CC(C)(C)CCN1N2CCCC2C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O |t:16|
Show InChI InChI=1S/C21H29N5O6S2/c1-21(2,3)9-11-26-20(28)17(18(27)15-6-5-10-25(15)26)19-22-14-8-7-13(23-33(4,29)30)12-16(14)34(31,32)24-19/h7-8,12,15,17,23H,5-6,9-11H2,1-4H3,(H,22,24)
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n/an/a<25n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme (NS5B H77 1a), RNA substrate, and [alpha-33P]GTP/GTP with inhibitor c...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM30531
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4ae)
Show SMILES [H][C@@]12CCC[C@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)cc1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:24|
Show InChI InChI=1S/C23H23FN4O6S2/c1-35(31,32)26-15-9-10-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-3-2-4-18(16)28(23(20)30)12-13-5-7-14(24)8-6-13/h5-11,16,18,20,26H,2-4,12H2,1H3,(H,25,27)/t16-,18+,20?/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme (NS5B H77 1a), RNA substrate, and [alpha-33P]GTP/GTP with inhibitor c...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30467
PNG
(benzothiazine-containing analog, 4b)
Show SMILES CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O |t:15|
Show InChI InChI=1S/C21H24N4O6S2/c1-13(2)8-10-25-21(27)19(20(26)17-5-4-9-24(17)25)16-12-33(30,31)18-11-14(23-32(3,28)29)6-7-15(18)22-16/h4-7,9,11,13,23,26H,8,10,12H2,1-3H3
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n/an/a 27n/a 13n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30534
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4af)
Show SMILES [H][C@]12CCCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)cc1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25|
Show InChI InChI=1S/C24H25FN4O6S2/c1-36(32,33)27-16-10-11-18-20(12-16)37(34,35)28-23(26-18)21-22(30)17-4-2-3-5-19(17)29(24(21)31)13-14-6-8-15(25)9-7-14/h6-12,17,19,21,27H,2-5,13H2,1H3,(H,26,28)/t17-,19+,21?/m1/s1
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n/an/a 27n/a 120n/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30411
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3d)
Show SMILES CC(C)CCn1n2cc(F)cc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C20H22FN5O6S2/c1-11(2)6-7-25-20(28)17(18(27)15-8-12(21)10-26(15)25)19-22-14-5-4-13(23-33(3,29)30)9-16(14)34(31,32)24-19/h4-5,8-11,23,27H,6-7H2,1-3H3,(H,22,24)
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n/an/a 27n/a 19n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30522
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4v)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(Cc2ccc(Cl)cc2)C1=O |c:9|
Show InChI InChI=1S/C23H23ClN4O6S2/c1-35(31,32)26-15-9-10-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-3-2-4-18(16)28(23(20)30)12-13-5-7-14(24)8-6-13/h5-11,16,18,20,26H,2-4,12H2,1H3,(H,25,27)
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n/an/a 28n/a 880n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM30542
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4an)
Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)c(C)c1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25|
Show InChI InChI=1S/C24H25FN4O6S2/c1-13-10-14(6-8-17(13)25)12-29-19-5-3-4-16(19)22(30)21(24(29)31)23-26-18-9-7-15(27-36(2,32)33)11-20(18)37(34,35)28-23/h6-11,16,19,21,27H,3-5,12H2,1-2H3,(H,26,28)/t16-,19+,21?/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme (NS5B H77 1a), RNA substrate, and [alpha-33P]GTP/GTP with inhibitor c...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM30544
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4ap)
Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)c(Cl)c1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25|
Show InChI InChI=1S/C23H22ClFN4O6S2/c1-36(32,33)27-13-6-8-17-19(10-13)37(34,35)28-22(26-17)20-21(30)14-3-2-4-18(14)29(23(20)31)11-12-5-7-16(25)15(24)9-12/h5-10,14,18,20,27H,2-4,11H2,1H3,(H,26,28)/t14-,18+,20?/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme (NS5B H77 1a), RNA substrate, and [alpha-33P]GTP/GTP with inhibitor c...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM30543
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4ao)
Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)c(F)c1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25|
Show InChI InChI=1S/C23H22F2N4O6S2/c1-36(32,33)27-13-6-8-17-19(10-13)37(34,35)28-22(26-17)20-21(30)14-3-2-4-18(14)29(23(20)31)11-12-5-7-15(24)16(25)9-12/h5-10,14,18,20,27H,2-4,11H2,1H3,(H,26,28)/t14-,18+,20?/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme (NS5B H77 1a), RNA substrate, and [alpha-33P]GTP/GTP with inhibitor c...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30531
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4ae)
Show SMILES [H][C@@]12CCC[C@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)cc1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:24|
Show InChI InChI=1S/C23H23FN4O6S2/c1-35(31,32)26-15-9-10-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-3-2-4-18(16)28(23(20)30)12-13-5-7-14(24)8-6-13/h5-11,16,18,20,26H,2-4,12H2,1H3,(H,25,27)/t16-,18+,20?/m0/s1
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n/an/a 31n/a 220n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30487
PNG
(1,1-dioxoisothiazole analog., 31)
Show SMILES CC(C)(C)[C@@H]1N(Cc2ccc(F)c(Cl)c2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC(N)=O |r,w:17.18|
Show InChI InChI=1S/C24H23ClFN3O6S/c1-24(2,3)22-20(31)18(23(32)29(22)10-12-7-8-15(26)14(25)9-12)19-13-5-4-6-16(35-11-17(27)30)21(13)36(33,34)28-19/h4-9,22,28H,10-11H2,1-3H3,(H2,27,30)/t22-/m1/s1
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n/an/a 33n/a 7.90E+3n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30517
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4q)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(CCC2CC2)C1=O |c:9|
Show InChI InChI=1S/C21H26N4O6S2/c1-32(28,29)23-13-7-8-15-17(11-13)33(30,31)24-20(22-15)18-19(26)14-3-2-4-16(14)25(21(18)27)10-9-12-5-6-12/h7-8,11-12,14,16,18,23H,2-6,9-10H2,1H3,(H,22,24)
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n/an/a 35n/a 120n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30459
PNG
(benzothiazine-containing analog, 3c)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(CS(=O)(=O)c2c1)c1c(O)c(nn(CC2CCCC2)c1=O)-c1cccs1 |c:9|
Show InChI InChI=1S/C23H24N4O6S3/c1-35(30,31)26-15-8-9-16-19(11-15)36(32,33)13-17(24-16)20-22(28)21(18-7-4-10-34-18)25-27(23(20)29)12-14-5-2-3-6-14/h4,7-11,14,26,28H,2-3,5-6,12-13H2,1H3
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n/an/a 39n/a 15n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30510
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4j)
Show SMILES CC(C)(C)CCN1C2CCCCCC2C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:21|
Show InChI InChI=1S/C24H34N4O6S2/c1-24(2,3)12-13-28-18-9-7-5-6-8-16(18)21(29)20(23(28)30)22-25-17-11-10-15(26-35(4,31)32)14-19(17)36(33,34)27-22/h10-11,14,16,18,20,26H,5-9,12-13H2,1-4H3,(H,25,27)
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n/an/a 39n/a 22n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30528
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4ab)
Show SMILES CC(C)CCN1C2CCCCC2C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:19|
Show InChI InChI=1S/C22H30N4O6S2/c1-13(2)10-11-26-17-7-5-4-6-15(17)20(27)19(22(26)28)21-23-16-9-8-14(24-33(3,29)30)12-18(16)34(31,32)25-21/h8-9,12-13,15,17,19,24H,4-7,10-11H2,1-3H3,(H,23,25)
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n/an/a 40n/a 39n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM30506
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4f)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCCCC2N(Cc2ccc(F)cc2)C1=O |c:9|
Show InChI InChI=1S/C25H27FN4O6S2/c1-37(33,34)28-17-11-12-19-21(13-17)38(35,36)29-24(27-19)22-23(31)18-5-3-2-4-6-20(18)30(25(22)32)14-15-7-9-16(26)10-8-15/h7-13,18,20,22,28H,2-6,14H2,1H3,(H,27,29)
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n/an/a 42n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme (NS5B H77 1a), RNA substrate, and [alpha-33P]GTP/GTP with inhibitor c...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM30535
PNG
(5,6-Dihydro-1H-pyridin-2-one, 4ag)
Show SMILES [H][C@@]12CCCC[C@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)cc1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25|
Show InChI InChI=1S/C24H25FN4O6S2/c1-36(32,33)27-16-10-11-18-20(12-16)37(34,35)28-23(26-18)21-22(30)17-4-2-3-5-19(17)29(24(21)31)13-14-6-8-15(25)9-7-14/h6-12,17,19,21,27H,2-5,13H2,1H3,(H,26,28)/t17-,19+,21?/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme (NS5B H77 1a), RNA substrate, and [alpha-33P]GTP/GTP with inhibitor c...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
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