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Found 225 hits Enz. Inhib. hit(s) with Target = 'Non-structural protein 5B (NS5B)'   
Target
(Institution)
LigandTarget
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))
BDBM203919
PNG
(US9242988, 1)
Show SMILES C[C@@]1(C#N)[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]1c1ccc2c(N)ncnn12
Show InChI InChI=1/C13H18N5O12P3/c1-13(5-14)10(19)9(4-27-32(23,24)30-33(25,26)29-31(20,21)22)28-11(13)7-2-3-8-12(15)16-6-17-18(7)8/h2-3,6,9-11,19H,4H2,1H3,(H,23,24)(H,25,26)(H2,15,16,17)(H2,20,21,22)/p-4/t9-,10-,11+,13-/s2
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US Patent
n/an/a 3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...


US Patent US9242988 (2016)

More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35554
PNG
(thiophene scaffold, 21)
Show SMILES CC(C)N(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C22H27NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,25,26)/t15-,17-
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n/an/a 9n/an/an/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM50081634
PNG
(CHEMBL3422106)
Show SMILES CC(C)N1CCC(C1)N(C)C(=O)Cn1c(c(C2CCCCC2)c2sc(cc12)C(O)=O)-c1ccccc1
Show InChI InChI=1/C29H37N3O3S/c1-19(2)31-15-14-22(17-31)30(3)25(33)18-32-23-16-24(29(34)35)36-28(23)26(20-10-6-4-7-11-20)27(32)21-12-8-5-9-13-21/h5,8-9,12-13,16,19-20,22H,4,6-7,10-11,14-15,17-18H2,1-3H3,(H,34,35)
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n/an/a 10n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b BK NS5B expressed in Escherichia coli BL21 (DE3) after 1 hr


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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...


Citation and Details
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 CC(C)CCN1[C@H]2CCC[C@H]2C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O
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/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...


Citation and Details
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
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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 11n/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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30450
PNG
(hexahydro-pyrrolo[1,2-b]pyridazin-2-one, 4a)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCN2N(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C22H22FN5O6S2/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/h4-9,11,17,19,25H,2-3,10,12H2,1H3,(H,24,26)
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n/an/a<10n/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...


Citation and Details
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
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...


Citation and Details
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 Cc1cccc(CN2[C@H]3CCC[C@H]3C(=O)C(C2=O)C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1
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/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...


Citation and Details
More data for this
Ligand-Target Pair
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
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...


Citation and Details
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
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...


Citation and Details
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 CC(C)(C)CCN1[C@H]2CCC[C@H]2C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1
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/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...


Citation and Details
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 Cc1cc(CN2[C@H]3CCC[C@H]3C(=O)C(C2=O)C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)ccc1F
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/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...


Citation and Details
More data for this
Ligand-Target Pair
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 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)[C@@H]2CCC[C@@H]2N(Cc2ccc(F)c(F)c2)C1=O
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/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...


Citation and Details
More data for this
Ligand-Target Pair
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
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...


Citation and Details
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 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)[C@@H]2CCC[C@@H]2N(Cc2ccc(F)cc2)C1=O
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...


Citation and Details
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...


Citation and Details
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
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...


Citation and Details
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
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...


Citation and Details
More data for this
Ligand-Target Pair
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 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)[C@@H]2CCC[C@@H]2N(Cc2ccc(F)c(Cl)c2)C1=O
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/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...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM50081636
PNG
(CHEMBL3422108)
Show SMILES CC(C)CNCc1c(sc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N(C)C3CCN(C3)C(C)C)c12)C(O)=O
Show InChI InChI=1/C34H48N4O3S/c1-22(2)18-35-19-27-31-33(42-32(27)34(40)41)29(24-12-8-6-9-13-24)30(25-14-10-7-11-15-25)38(31)21-28(39)36(5)26-16-17-37(20-26)23(3)4/h7,10-11,14-15,22-24,26,35H,6,8-9,12-13,16-21H2,1-5H3,(H,40,41)
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n/an/a 11n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b BK NS5B expressed in Escherichia coli BL21 (DE3) after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30451
PNG
(hexahydro-pyrrolo[1,2-b]pyridazin-2-one, 4b)
Show SMILES CC(C)CCN1N2CCCC2C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O
Show InChI InChI=1S/C20H27N5O6S2/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/h6-7,11-12,15,17,22H,4-5,8-10H2,1-3H3,(H,21,23)
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n/an/a 12n/a 160n/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...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35570
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 19)
Show SMILES Brc1cccc(c1)N1C(=O)c2cccc3c(NC4CCN(Cc5ccccc5)CC4)ccc(C1=O)c23
Show InChI InChI=1S/C30H26BrN3O2/c31-21-8-4-9-23(18-21)34-29(35)25-11-5-10-24-27(13-12-26(28(24)25)30(34)36)32-22-14-16-33(17-15-22)19-20-6-2-1-3-7-20/h1-13,18,22,32H,14-17,19H2
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n/an/a<14n/a 2.20E+3n/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


Citation and Details
More data for this
Ligand-Target Pair
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30456
PNG
(hexahydro-1H-pyrido[1,2-b]pyridazin-2-one, 4g)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCCN2N(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C23H24FN5O6S2/c1-36(32,33)26-16-9-10-17-19(12-16)37(34,35)27-22(25-17)20-21(30)18-4-2-3-11-28(18)29(23(20)31)13-14-5-7-15(24)8-6-14/h5-10,12,18,20,26H,2-4,11,13H2,1H3,(H,25,27)
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n/an/a 16n/a 300n/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...


Citation and Details
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
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...


Citation and Details
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM50081635
PNG
(CHEMBL3422107)
Show SMILES CC(C)N1CC[C@H](C1)N1CCn2c(c(C3CCCCC3)c3sc(cc23)C(O)=O)-c2ccccc2C1
Show InChI InChI=1/C29H37N3O2S/c1-19(2)30-13-12-22(18-30)31-14-15-32-24-16-25(29(33)34)35-28(24)26(20-8-4-3-5-9-20)27(32)23-11-7-6-10-21(23)17-31/h6-7,10-11,16,19-20,22H,3-5,8-9,12-15,17-18H2,1-2H3,(H,33,34)/t22-/s2
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n/an/a 19n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b BK NS5B expressed in Escherichia coli BL21 (DE3) after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35563
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 12)
Show SMILES OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Cl)c1
Show InChI InChI=1S/C20H15ClN2O3/c21-12-3-1-4-13(11-12)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2
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n/an/a 19n/a 3.80E+3n/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35553
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 1)
Show SMILES OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
Show InChI InChI=1S/C20H15BrN2O3/c21-12-3-1-4-13(11-12)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2
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n/an/a 20n/a 7.10E+3n/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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...


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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
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...


Citation and Details
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35560
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 9)
Show SMILES COCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
Show InChI InChI=1S/C21H17BrN2O3/c1-27-11-10-23-18-9-8-17-19-15(18)6-3-7-16(19)20(25)24(21(17)26)14-5-2-4-13(22)12-14/h2-9,12,23H,10-11H2,1H3
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n/an/a 24n/an/an/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


Citation and Details
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...


Citation and Details
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
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...


Citation and Details
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 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)[C@@H]2CCCC[C@@H]2N(Cc2ccc(F)cc2)C1=O
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/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...


Citation and Details
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
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...


Citation and Details
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35558
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 7)
Show SMILES CCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
Show InChI InChI=1S/C20H15BrN2O2/c1-2-22-17-10-9-16-18-14(17)7-4-8-15(18)19(24)23(20(16)25)13-6-3-5-12(21)11-13/h3-11,22H,2H2,1H3
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n/an/a 29n/an/an/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM35569
PNG
(1H-benzo[de]isoquinoline-1,3(2H)-dione, 18)
Show SMILES Brc1cccc(c1)N1C(=O)c2cccc3c(NC4CCNCC4)ccc(C1=O)c23
Show InChI InChI=1S/C23H20BrN3O2/c24-14-3-1-4-16(13-14)27-22(28)18-6-2-5-17-20(26-15-9-11-25-12-10-15)8-7-19(21(17)18)23(27)29/h1-8,13,15,25-26H,9-12H2
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n/an/a 30n/a 1.90E+3n/an/a7.523



IRBM-MRL Rome



Assay Description
Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...


Citation and Details
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 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)[C@H]2CCC[C@H]2N(Cc2ccc(F)cc2)C1=O
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...


Citation and Details
More data for this
Ligand-Target Pair
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