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Compile Data Set for Download or QSAR

Found 159 hits of ph data with Target = 'Non-structural protein 5B (NS5B)'   
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))
BDBM50096619
PNG
(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Show SMILES COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1
Show InChI InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3
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n/an/a 3.60E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93223
PNG
(Neoflavonoid derivative, 8c)
Show SMILES Oc1c(CC=C)c(O)c2c(cc(=O)oc2c1CC=C)-c1ccccc1
Show InChI InChI=1S/C21H18O4/c1-3-8-14-19(23)15(9-4-2)21-18(20(14)24)16(12-17(22)25-21)13-10-6-5-7-11-13/h3-7,10-12,23-24H,1-2,8-9H2
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n/an/a 4.58E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93216
PNG
(Coumarin derivative, 1a)
Show SMILES Oc1cc(O)c2ccc(=O)oc2c1
Show InChI InChI=1S/C9H6O4/c10-5-3-7(11)6-1-2-9(12)13-8(6)4-5/h1-4,10-11H
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n/an/a 3.97E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM50022180
PNG
(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
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n/an/a 4.72E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM69688
PNG
(5,7-Dihydroxy-4-phenyl-chromen-2-one | 5,7-bis(oxi...)
Show SMILES Oc1cc(O)c2c(cc(=O)oc2c1)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-12(17)15-11(9-4-2-1-3-5-9)8-14(18)19-13(15)7-10/h1-8,16-17H
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n/an/a 2.70E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93217
PNG
(Coumarin derivative, 2a)
Show SMILES COc1cc(OC)c2ccc(=O)oc2c1
Show InChI InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3
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n/an/a 5.80E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93218
PNG
(Coumarin derivative, 2b)
Show SMILES COc1cc(OC)c2c(C)cc(=O)oc2c1
Show InChI InChI=1S/C12H12O4/c1-7-4-11(13)16-10-6-8(14-2)5-9(15-3)12(7)10/h4-6H,1-3H3
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n/an/a 5.41E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM69317
PNG
(5,7-dimethoxy-4-phenyl-1-benzopyran-2-one | 5,7-di...)
Show SMILES COc1cc(OC)c2c(cc(=O)oc2c1)-c1ccccc1
Show InChI InChI=1S/C17H14O4/c1-19-12-8-14(20-2)17-13(11-6-4-3-5-7-11)10-16(18)21-15(17)9-12/h3-10H,1-2H3
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n/an/a 6.30E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM50174558
PNG
(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Show SMILES Oc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
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n/an/a 3.66E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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n/an/a 3.38E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM50104891
PNG
(7-Hydroxy-4-phenyl-chromen-2-one | 7-hydroxy-4-phe...)
Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(10-4-2-1-3-5-10)9-15(17)18-14(12)8-11/h1-9,16H
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n/an/a 4.16E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93219
PNG
(Neoflavonoid derivative, 6a)
Show SMILES C=CCOc1cc(OCC=C)c2ccc(=O)oc2c1
Show InChI InChI=1S/C15H14O4/c1-3-7-17-11-9-13(18-8-4-2)12-5-6-15(16)19-14(12)10-11/h3-6,9-10H,1-2,7-8H2
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n/an/a 2.62E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93220
PNG
(Neoflavonoid derivative, 6b)
Show SMILES Cc1cc(=O)oc2cc(OCC=C)cc(OCC=C)c12
Show InChI InChI=1S/C16H16O4/c1-4-6-18-12-9-13(19-7-5-2)16-11(3)8-15(17)20-14(16)10-12/h4-5,8-10H,1-2,6-7H2,3H3
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n/an/a 3.84E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93221
PNG
(Neoflavonoid derivative, 6c)
Show SMILES C=CCOc1cc(OCC=C)c2c(cc(=O)oc2c1)-c1ccccc1
Show InChI InChI=1S/C21H18O4/c1-3-10-23-16-12-18(24-11-4-2)21-17(15-8-6-5-7-9-15)14-20(22)25-19(21)13-16/h3-9,12-14H,1-2,10-11H2
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n/an/a 3.03E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93222
PNG
(Neoflavonoid derivative, 8a)
Show SMILES Oc1c(CC=C)c(O)c2ccc(=O)oc2c1CC=C
Show InChI InChI=1S/C15H14O4/c1-3-5-9-13(17)10(6-4-2)15-11(14(9)18)7-8-12(16)19-15/h3-4,7-8,17-18H,1-2,5-6H2
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n/an/a 1.79E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM93215
PNG
(LQB-34)
Show SMILES COc1cc2c3oc4cc(O)c(O)cc4c3c(=O)oc2cc1O
Show InChI InChI=1S/C16H10O7/c1-21-13-3-7-12(5-10(13)19)23-16(20)14-6-2-8(17)9(18)4-11(6)22-15(7)14/h2-5,17-19H,1H3
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n/an/a 1.80E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2R78CT6
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30406
PNG
(CHEMBL176058 | benzo[1,2,4]thiadiazine-1,1-dioxide...)
Show SMILES CC(C)CCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C21H21N3O4S/c1-13(2)11-12-24-16-9-5-3-7-14(16)19(25)18(21(24)26)20-22-15-8-4-6-10-17(15)29(27,28)23-20/h3-10,13,25H,11-12H2,1-2H3,(H,22,23)
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n/an/a<200n/an/an/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))
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
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))
BDBM30408
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3a)
Show SMILES CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C19H20N4O4S/c1-12(2)9-11-23-19(25)16(17(24)14-7-5-10-22(14)23)18-20-13-6-3-4-8-15(13)28(26,27)21-18/h3-8,10,12,24H,9,11H2,1-2H3,(H,20,21)
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n/an/a 980n/a 5.30E+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: 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))
BDBM30409
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3b)
Show SMILES COc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(CCC(C)C)c1=O
Show InChI InChI=1S/C20H22N4O5S/c1-12(2)8-10-24-20(26)17(18(25)15-5-4-9-23(15)24)19-21-14-7-6-13(29-3)11-16(14)30(27,28)22-19/h4-7,9,11-12,25H,8,10H2,1-3H3,(H,21,22)
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n/an/a 2.20E+3n/a 1.70E+4n/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))
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
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))
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
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))
BDBM30412
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3e)
Show SMILES CC(C)CCn1n2cc(cc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O)C#N
Show InChI InChI=1S/C21H22N6O6S2/c1-12(2)6-7-26-21(29)18(19(28)16-8-13(10-22)11-27(16)26)20-23-15-5-4-14(24-34(3,30)31)9-17(15)35(32,33)25-20/h4-5,8-9,11-12,24,28H,6-7H2,1-3H3,(H,23,25)
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n/an/a 320n/an/an/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))
BDBM30413
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3f)
Show SMILES CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(cc3S(=O)(=O)N2)N(C)S(C)(=O)=O)c1=O
Show InChI InChI=1S/C21H25N5O6S2/c1-13(2)9-11-26-21(28)18(19(27)16-6-5-10-25(16)26)20-22-15-8-7-14(24(3)33(4,29)30)12-17(15)34(31,32)23-20/h5-8,10,12-13,27H,9,11H2,1-4H3,(H,22,23)
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n/an/a 110n/a 190n/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))
BDBM30414
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3g)
Show SMILES CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(=O)(=O)C4CC4)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C22H25N5O6S2/c1-13(2)9-11-27-22(29)19(20(28)17-4-3-10-26(17)27)21-23-16-8-5-14(12-18(16)35(32,33)25-21)24-34(30,31)15-6-7-15/h3-5,8,10,12-13,15,24,28H,6-7,9,11H2,1-2H3,(H,23,25)
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n/an/a 160n/a 96n/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))
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
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))
BDBM30416
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3i)
Show SMILES CN(c1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(CCC(C)(C)C)c1=O)S(C)(=O)=O
Show InChI InChI=1S/C22H27N5O6S2/c1-22(2,3)10-12-27-21(29)18(19(28)16-7-6-11-26(16)27)20-23-15-9-8-14(25(4)34(5,30)31)13-17(15)35(32,33)24-20/h6-9,11,13,28H,10,12H2,1-5H3,(H,23,24)
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n/an/a 60n/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 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))
BDBM30417
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3j)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(Cc2ccc(F)cc2)n2cccc12
Show InChI InChI=1S/C21H15FN4O4S/c22-14-9-7-13(8-10-14)12-26-21(28)18(19(27)16-5-3-11-25(16)26)20-23-15-4-1-2-6-17(15)31(29,30)24-20/h1-11,27H,12H2,(H,23,24)
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n/an/a 850n/an/an/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
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))
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
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
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30420
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3m)
Show SMILES CN(c1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(Cc2ccc(F)cc2)c1=O)S(C)(=O)=O
Show InChI InChI=1S/C23H20FN5O6S2/c1-27(36(2,32)33)16-9-10-17-19(12-16)37(34,35)26-22(25-17)20-21(30)18-4-3-11-28(18)29(23(20)31)13-14-5-7-15(24)8-6-14/h3-12,30H,13H2,1-2H3,(H,25,26)
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n/an/a 130n/a 330n/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))
BDBM30421
PNG
(Racemic | pyrrolo[1,2-b]pyridazin-2-one analog., 3...)
Show SMILES Oc1c(C2=Nc3ccc(cc3S(=O)(=O)N2)C2CCCS2(=O)=O)c(=O)n(Cc2ccc(F)cc2)n2cccc12
Show InChI InChI=1S/C25H21FN4O6S2/c26-17-8-5-15(6-9-17)14-30-25(32)22(23(31)19-3-1-11-29(19)30)24-27-18-10-7-16(13-21(18)38(35,36)28-24)20-4-2-12-37(20,33)34/h1,3,5-11,13,20,31H,2,4,12,14H2,(H,27,28)
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n/an/a 130n/a 380n/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))
BDBM30422
PNG
(pyridazinone derivative, 8a)
Show SMILES COc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c(nn(CCC(C)C)c1=O)-c1cccs1
Show InChI InChI=1S/C21H22N4O5S2/c1-12(2)8-9-25-21(27)17(19(26)18(23-25)15-5-4-10-31-15)20-22-14-7-6-13(30-3)11-16(14)32(28,29)24-20/h4-7,10-12,26H,8-9H2,1-3H3,(H,22,24)
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n/an/a 3.80E+3n/a 2.60E+4n/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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30423
PNG
(pyridazinone derivative, 8b)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C20H20N4O4S2/c1-12(2)9-10-24-20(26)16(18(25)17(22-24)14-7-5-11-29-14)19-21-13-6-3-4-8-15(13)30(27,28)23-19/h3-8,11-12,25H,9-10H2,1-2H3,(H,21,23)
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n/an/a 1.30E+3n/a 7.10E+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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30424
PNG
(pyridazinone derivative, 8c)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C20H20N4O5S2/c1-11(2)7-8-24-20(27)16(18(26)17(22-24)14-4-3-9-30-14)19-21-13-6-5-12(25)10-15(13)31(28,29)23-19/h3-6,9-11,25-26H,7-8H2,1-2H3,(H,21,23)
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n/an/a 340n/a 6.50E+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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30425
PNG
(pyridazinone derivative, 8d)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OCC(N)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C22H23N5O6S2/c1-12(2)7-8-27-22(30)18(20(29)19(25-27)15-4-3-9-34-15)21-24-14-6-5-13(33-11-17(23)28)10-16(14)35(31,32)26-21/h3-6,9-10,12,29H,7-8,11H2,1-2H3,(H2,23,28)(H,24,26)
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n/an/a 70n/a 410n/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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30426
PNG
(Racemic | pyridazinone derivative, 8e)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OC(C)C(N)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C23H25N5O6S2/c1-12(2)8-9-28-23(31)18(20(29)19(26-28)16-5-4-10-35-16)22-25-15-7-6-14(34-13(3)21(24)30)11-17(15)36(32,33)27-22/h4-7,10-13,29H,8-9H2,1-3H3,(H2,24,30)(H,25,27)
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n/an/a 62n/a 210n/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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30427
PNG
(pyridazinone derivative, 8f)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OC(C)(C)C(N)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C24H27N5O6S2/c1-13(2)9-10-29-22(31)18(20(30)19(27-29)16-6-5-11-36-16)21-26-15-8-7-14(35-24(3,4)23(25)32)12-17(15)37(33,34)28-21/h5-8,11-13,30H,9-10H2,1-4H3,(H2,25,32)(H,26,28)
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n/an/a 1.60E+3n/a 8.20E+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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30428
PNG
(Racemic | pyridazinone derivative, 8g)
Show SMILES CCC(Oc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c(nn(CCC(C)C)c1=O)-c1cccs1)C(N)=O
Show InChI InChI=1S/C24H27N5O6S2/c1-4-16(22(25)31)35-14-7-8-15-18(12-14)37(33,34)28-23(26-15)19-21(30)20(17-6-5-11-36-17)27-29(24(19)32)10-9-13(2)3/h5-8,11-13,16,30H,4,9-10H2,1-3H3,(H2,25,31)(H,26,28)
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n/an/a 1.55E+3n/a 7.60E+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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30429
PNG
(pyridazinone derivative, 8h)
Show SMILES CNC(=O)COc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c(nn(CCC(C)C)c1=O)-c1cccs1
Show InChI InChI=1S/C23H25N5O6S2/c1-13(2)8-9-28-23(31)19(21(30)20(26-28)16-5-4-10-35-16)22-25-15-7-6-14(34-12-18(29)24-3)11-17(15)36(32,33)27-22/h4-7,10-11,13,30H,8-9,12H2,1-3H3,(H,24,29)(H,25,27)
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n/an/a 92n/a 710n/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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30430
PNG
(pyridazinone derivative, 8i)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OCC(=O)NO)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C22H23N5O7S2/c1-12(2)7-8-27-22(30)18(20(29)19(24-27)15-4-3-9-35-15)21-23-14-6-5-13(34-11-17(28)25-31)10-16(14)36(32,33)26-21/h3-6,9-10,12,29,31H,7-8,11H2,1-2H3,(H,23,26)(H,25,28)
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n/an/a 100n/a 1.10E+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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30431
PNG
(pyridazinone derivative, 8j)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OCC(=O)N4CCNC4)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C25H28N6O6S2/c1-15(2)7-9-31-25(34)21(23(33)22(28-31)18-4-3-11-38-18)24-27-17-6-5-16(12-19(17)39(35,36)29-24)37-13-20(32)30-10-8-26-14-30/h3-6,11-12,15,26,33H,7-10,13-14H2,1-2H3,(H,27,29)
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n/an/a 340n/a 2.10E+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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30432
PNG
(Racemic | pyridazinone derivative, 8k)
Show SMILES CCOC(=O)C(C)Oc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c(nn(CCC(C)C)c1=O)-c1cccs1
Show InChI InChI=1S/C25H28N4O7S2/c1-5-35-25(32)15(4)36-16-8-9-17-19(13-16)38(33,34)28-23(26-17)20-22(30)21(18-7-6-12-37-18)27-29(24(20)31)11-10-14(2)3/h6-9,12-15,30H,5,10-11H2,1-4H3,(H,26,28)
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n/an/a 6.30E+3n/a>1.00E+4n/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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30433
PNG
(Racemic | pyridazinone derivative, 8l)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OC(C)C(O)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C23H24N4O7S2/c1-12(2)8-9-27-22(29)18(20(28)19(25-27)16-5-4-10-35-16)21-24-15-7-6-14(34-13(3)23(30)31)11-17(15)36(32,33)26-21/h4-7,10-13,28H,8-9H2,1-3H3,(H,24,26)(H,30,31)
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n/an/a 370n/a 5.30E+4n/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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30434
PNG
(pyridazinone derivative, 8m)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OCC#N)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C22H21N5O5S2/c1-13(2)7-9-27-22(29)18(20(28)19(25-27)16-4-3-11-33-16)21-24-15-6-5-14(32-10-8-23)12-17(15)34(30,31)26-21/h3-6,11-13,28H,7,9-10H2,1-2H3,(H,24,26)
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n/an/a 570n/a 540n/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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30435
PNG
(pyridazinone derivative, 8n)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(CCC(N)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C23H25N5O5S2/c1-13(2)9-10-28-23(31)19(21(30)20(26-28)16-4-3-11-34-16)22-25-15-7-5-14(6-8-18(24)29)12-17(15)35(32,33)27-22/h3-5,7,11-13,30H,6,8-10H2,1-2H3,(H2,24,29)(H,25,27)
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n/an/a 3.40E+3n/an/an/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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30436
PNG
(pyridazinone derivative, 8o)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(C=CC(N)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C23H23N5O5S2/c1-13(2)9-10-28-23(31)19(21(30)20(26-28)16-4-3-11-34-16)22-25-15-7-5-14(6-8-18(24)29)12-17(15)35(32,33)27-22/h3-8,11-13,30H,9-10H2,1-2H3,(H2,24,29)(H,25,27)
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n/an/a 230n/an/an/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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30437
PNG
(pyridazinone derivative, 8p)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NC(=O)C4CC4)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C24H25N5O5S2/c1-13(2)9-10-29-24(32)19(21(30)20(27-29)17-4-3-11-35-17)22-26-16-8-7-15(25-23(31)14-5-6-14)12-18(16)36(33,34)28-22/h3-4,7-8,11-14,30H,5-6,9-10H2,1-2H3,(H,25,31)(H,26,28)
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n/an/a 8.00E+3n/an/an/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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30438
PNG
(pyridazinone derivative, 8q)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NC(C)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C22H23N5O5S2/c1-12(2)8-9-27-22(30)18(20(29)19(25-27)16-5-4-10-33-16)21-24-15-7-6-14(23-13(3)28)11-17(15)34(31,32)26-21/h4-7,10-12,29H,8-9H2,1-3H3,(H,23,28)(H,24,26)
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n/an/a 1.10E+3n/an/an/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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30439
PNG
(pyridazinone derivative, 8r)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(cc3S(=O)(=O)N2)N2CCCC2=O)c1=O
Show InChI InChI=1S/C24H25N5O5S2/c1-14(2)9-11-29-24(32)20(22(31)21(26-29)17-5-4-12-35-17)23-25-16-8-7-15(28-10-3-6-19(28)30)13-18(16)36(33,34)27-23/h4-5,7-8,12-14,31H,3,6,9-11H2,1-2H3,(H,25,27)
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n/an/a 7.20E+3n/an/an/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: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
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