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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'ayida' and Initial = 'b'   
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: 5002-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.017
BindingDB Entry DOI: 10.7270/Q2XW4H5X
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 |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 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...


Bioorg Med Chem Lett 18: 5002-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.017
BindingDB Entry DOI: 10.7270/Q2XW4H5X
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 |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: 5002-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.017
BindingDB Entry DOI: 10.7270/Q2XW4H5X
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 |c:9|
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...


Bioorg Med Chem Lett 18: 5002-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.017
BindingDB Entry DOI: 10.7270/Q2XW4H5X
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))
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 18: 5002-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.017
BindingDB Entry DOI: 10.7270/Q2XW4H5X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |t:15|
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...


Bioorg Med Chem Lett 18: 5002-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.017
BindingDB Entry DOI: 10.7270/Q2XW4H5X
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 |c:9|
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...


Bioorg Med Chem Lett 18: 5002-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.017
BindingDB Entry DOI: 10.7270/Q2XW4H5X
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))
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
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))
BDBM30455
PNG
(hexahydro-1H-pyrido[1,2-b]pyridazin-2-one, 4f)
Show SMILES CC(C)(C)CCN1N2CCCCC2C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:20|
Show InChI InChI=1S/C22H31N5O6S2/c1-22(2,3)10-12-27-21(29)18(19(28)16-7-5-6-11-26(16)27)20-23-15-9-8-14(24-34(4,30)31)13-17(15)35(32,33)25-20/h8-9,13,16,18,24H,5-7,10-12H2,1-4H3,(H,23,25)
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n/an/a 41n/a 110n/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: 5002-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.017
BindingDB Entry DOI: 10.7270/Q2XW4H5X
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30496
PNG
(1,1-dioxoisothiazole analog., 40)
Show SMILES CC(C)(C)CCN1[C@H](C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2CCS(C)(=O)=O)C(C)(C)C |r,w:10.9|
Show InChI InChI=1S/C24H34N2O6S2/c1-23(2,3)12-13-26-21(24(4,5)6)19(27)17(22(26)28)18-16-10-8-9-15(11-14-33(7,29)30)20(16)34(31,32)25-18/h8-10,21,25H,11-14H2,1-7H3/t21-/m1/s1
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n/an/a 45n/a 2.60E+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: 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))
BDBM30488
PNG
(1,1-dioxoisothiazole analog., 32)
Show SMILES CC(C)(C)[C@@H]1N(Cc2ccc(F)c(Cl)c2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC#N |r,w:17.18|
Show InChI InChI=1S/C24H21ClFN3O5S/c1-24(2,3)22-20(30)18(23(31)29(22)12-13-7-8-16(26)15(25)11-13)19-14-5-4-6-17(34-10-9-27)21(14)35(32,33)28-19/h4-8,11,22,28H,10,12H2,1-3H3/t22-/m1/s1
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n/an/a 70n/a 700n/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))
BDBM30492
PNG
(1,1-dioxoisothiazole analog., 36)
Show SMILES CC(C)(C)[C@@H]1N(Cc2ccc(F)c(Cl)c2)C(=O)C(C1=O)=C1NS(=O)(=O)c2cc(NS(C)(=O)=O)ccc12 |r,w:17.18|
Show InChI InChI=1S/C23H23ClFN3O6S2/c1-23(2,3)21-20(29)18(22(30)28(21)11-12-5-8-16(25)15(24)9-12)19-14-7-6-13(26-35(4,31)32)10-17(14)36(33,34)27-19/h5-10,21,26-27H,11H2,1-4H3/t21-/m1/s1
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n/an/a 94n/a 1.30E+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: 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))
BDBM30497
PNG
(1,1-dioxoisothiazole analog., 41)
Show SMILES CS(=O)(=O)NCc1cccc2C(NS(=O)(=O)c12)=C1C(=O)N(Cc2ccc(F)c(Cl)c2)C2(CC2)C1=O |w:17.37|
Show InChI InChI=1S/C22H19ClFN3O6S2/c1-34(30,31)25-10-13-3-2-4-14-18(26-35(32,33)19(13)14)17-20(28)22(7-8-22)27(21(17)29)11-12-5-6-16(24)15(23)9-12/h2-6,9,25-26H,7-8,10-11H2,1H3
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n/an/a 130n/a>3.30E+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: 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))
BDBM30453
PNG
(hexahydro-pyrrolo[1,2-b]pyridazin-2-one, 4d)
Show SMILES CN(c1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCN2N(CCC(C)(C)C)C1=O)S(C)(=O)=O |c:6|
Show InChI InChI=1S/C22H31N5O6S2/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/h8-9,13,16,18H,6-7,10-12H2,1-5H3,(H,23,24)
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n/an/a 160n/a 3.60E+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: 5002-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.017
BindingDB Entry DOI: 10.7270/Q2XW4H5X
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30454
PNG
(hexahydro-pyrrolo[1,2-b]pyridazin-2-one, 4e)
Show SMILES CC(C)(C)CCN1N2CCCC2(C)C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:20|
Show InChI InChI=1S/C22H31N5O6S2/c1-21(2,3)10-12-26-20(29)17(18(28)22(4)9-6-11-27(22)26)19-23-15-8-7-14(24-34(5,30)31)13-16(15)35(32,33)25-19/h7-8,13,17,24H,6,9-12H2,1-5H3,(H,23,25)
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n/an/a 180n/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: 5002-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.017
BindingDB Entry DOI: 10.7270/Q2XW4H5X
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30489
PNG
(1,1-dioxoisothiazole analog., 33)
Show SMILES CC(C)(C)[C@@H]1N(Cc2ccc(F)c(Cl)c2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCc1ncon1 |r,w:17.18|
Show InChI InChI=1S/C25H22ClFN4O6S/c1-25(2,3)23-21(32)19(24(33)31(23)10-13-7-8-16(27)15(26)9-13)20-14-5-4-6-17(22(14)38(34,35)30-20)36-11-18-28-12-37-29-18/h4-9,12,23,30H,10-11H2,1-3H3/t23-/m1/s1
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n/an/a 180n/a 1.80E+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))
BDBM30493
PNG
(1,1-dioxoisothiazole analog., 37)
Show SMILES CC(C)(C)CCN1[C@H](C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC(N)=O)C(C)(C)C |r,w:10.9|
Show InChI InChI=1S/C23H31N3O6S/c1-22(2,3)10-11-26-20(23(4,5)6)18(28)16(21(26)29)17-13-8-7-9-14(32-12-15(24)27)19(13)33(30,31)25-17/h7-9,20,25H,10-12H2,1-6H3,(H2,24,27)/t20-/m1/s1
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n/an/a 200n/a 1.10E+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: 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))
BDBM30503
PNG
(benzo[b]thiophene-1,1-dioxide, 47)
Show SMILES CC(C)(C)CCN1[C@H](C(=O)C(C1=O)C1=CS(=O)(=O)c2c1cccc2CNS(C)(=O)=O)C(C)(C)C |r,t:14|
Show InChI InChI=1S/C24H34N2O6S2/c1-23(2,3)11-12-26-21(24(4,5)6)19(27)18(22(26)28)17-14-34(31,32)20-15(9-8-10-16(17)20)13-25-33(7,29)30/h8-10,14,18,21,25H,11-13H2,1-7H3/t18?,21-/m1/s1
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n/an/a 240n/a 6.40E+3n/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 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))
BDBM30477
PNG
(1,1-dioxoisothiazole analog., 21)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCc1ncon1 |r,w:14.15|
Show InChI InChI=1S/C24H22N4O6S/c1-14(2)21-22(29)19(24(30)28(21)11-15-7-4-3-5-8-15)20-16-9-6-10-17(23(16)35(31,32)27-20)33-12-18-25-13-34-26-18/h3-10,13-14,21,27H,11-12H2,1-2H3/t21-/m0/s1
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n/an/a 350n/a 1.50E+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: 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))
BDBM30499
PNG
(1,1-dioxoisothiazole analog., 43)
Show SMILES CC[C@]1(C)N(Cc2ccc(F)c(Cl)c2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2CN(C)S(C)(=O)=O |r,w:16.17|
Show InChI InChI=1S/C24H25ClFN3O6S2/c1-5-24(2)22(30)19(23(31)29(24)12-14-9-10-18(26)17(25)11-14)20-16-8-6-7-15(13-28(3)36(4,32)33)21(16)37(34,35)27-20/h6-11,27H,5,12-13H2,1-4H3/t24-/m0/s1
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n/an/a 410n/an/an/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 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))
BDBM30486
PNG
(1,1-dioxoisothiazole analog., 30)
Show SMILES CC(C)(C)CCN1[C@H](C(=O)C(C1=O)=C1NS(=O)(=O)c2ccccc12)C(C)(C)C |r,w:10.9|
Show InChI InChI=1S/C21H28N2O4S/c1-20(2,3)11-12-23-18(21(4,5)6)17(24)15(19(23)25)16-13-9-7-8-10-14(13)28(26,27)22-16/h7-10,18,22H,11-12H2,1-6H3/t18-/m1/s1
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n/an/a 420n/a 4.30E+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: 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))
BDBM30500
PNG
(1,1-dioxoisothiazole analog., 44)
Show SMILES CN(Cc1cccc2C(NS(=O)(=O)c12)=C1C(=O)N(Cc2ccc(F)c(Cl)c2)C(C)(C)C1=O)S(C)(=O)=O |w:14.33|
Show InChI InChI=1S/C23H23ClFN3O6S2/c1-23(2)21(29)18(22(30)28(23)11-13-8-9-17(25)16(24)10-13)19-15-7-5-6-14(12-27(3)35(4,31)32)20(15)36(33,34)26-19/h5-10,26H,11-12H2,1-4H3
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n/an/a 460n/an/an/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 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))
BDBM30471
PNG
(1,1-dioxoisothiazole analog., 15)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2O |r,w:14.15|
Show InChI InChI=1S/C21H20N2O5S/c1-12(2)18-19(25)16(21(26)23(18)11-13-7-4-3-5-8-13)17-14-9-6-10-15(24)20(14)29(27,28)22-17/h3-10,12,18,22,24H,11H2,1-2H3/t18-/m0/s1
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n/an/a 470n/a 4.70E+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: 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))
BDBM30472
PNG
(1,1-dioxoisothiazole analog., 16)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC(N)=O |r,w:14.15|
Show InChI InChI=1S/C23H23N3O6S/c1-13(2)20-21(28)18(23(29)26(20)11-14-7-4-3-5-8-14)19-15-9-6-10-16(32-12-17(24)27)22(15)33(30,31)25-19/h3-10,13,20,25H,11-12H2,1-2H3,(H2,24,27)/t20-/m0/s1
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n/an/a 520n/a 8.80E+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: 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))
BDBM30498
PNG
(1,1-dioxoisothiazole analog., 42)
Show SMILES CN(Cc1cccc2C(NS(=O)(=O)c12)=C1C(=O)N(Cc2ccc(F)c(Cl)c2)C2(CC2)C1=O)S(C)(=O)=O |w:14.34|
Show InChI InChI=1S/C23H21ClFN3O6S2/c1-27(35(2,31)32)12-14-4-3-5-15-19(26-36(33,34)20(14)15)18-21(29)23(8-9-23)28(22(18)30)11-13-6-7-17(25)16(24)10-13/h3-7,10,26H,8-9,11-12H2,1-2H3
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n/an/a 620n/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: 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))
BDBM30494
PNG
(1,1-dioxoisothiazole analog., 38)
Show SMILES CC(C)(C)CCN1[C@H](C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCc1ncon1)C(C)(C)C |r,w:10.9|
Show InChI InChI=1S/C24H30N4O6S/c1-23(2,3)10-11-28-21(24(4,5)6)19(29)17(22(28)30)18-14-8-7-9-15(20(14)35(31,32)27-18)33-12-16-25-13-34-26-16/h7-9,13,21,27H,10-12H2,1-6H3/t21-/m1/s1
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n/an/a 650n/a 2.00E+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))
BDBM30484
PNG
(1,1-dioxoisothiazole analog., 28)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(Cc2ccc(F)c(Cl)c2)C1=O)C(C)(C)C |r,w:14.16|
Show InChI InChI=1S/C24H24ClFN2O5S/c1-5-33-17-8-6-7-14-19(27-34(31,32)21(14)17)18-20(29)22(24(2,3)4)28(23(18)30)12-13-9-10-16(26)15(25)11-13/h6-11,22,27H,5,12H2,1-4H3/t22-/m1/s1
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n/an/a 760n/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: 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))
BDBM30502
PNG
(benzo[b]thiophene-1,1-dioxide, 46)
Show SMILES CN(Cc1cccc2C(=CS(=O)(=O)c12)C1C(=O)[C@@H](N(CCC(C)(C)C)C1=O)C(C)(C)C)S(C)(=O)=O |r,c:8|
Show InChI InChI=1S/C25H36N2O6S2/c1-24(2,3)12-13-27-22(25(4,5)6)20(28)19(23(27)29)18-15-35(32,33)21-16(10-9-11-17(18)21)14-26(7)34(8,30)31/h9-11,15,19,22H,12-14H2,1-8H3/t19?,22-/m1/s1
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n/an/a 920n/a 5.80E+3n/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 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))
BDBM30473
PNG
(1,1-dioxoisothiazole analog., 17)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCCC(N)=O |r,w:14.15|
Show InChI InChI=1S/C24H25N3O6S/c1-14(2)21-22(29)19(24(30)27(21)13-15-7-4-3-5-8-15)20-16-9-6-10-17(33-12-11-18(25)28)23(16)34(31,32)26-20/h3-10,14,21,26H,11-13H2,1-2H3,(H2,25,28)/t21-/m0/s1
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n/an/a 1.20E+3n/a 1.00E+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: 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))
BDBM30469
PNG
(1,1-dioxoisothiazole analog., 3)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2ccccc12 |r,w:14.15|
Show InChI InChI=1S/C21H20N2O4S/c1-13(2)19-20(24)17(21(25)23(19)12-14-8-4-3-5-9-14)18-15-10-6-7-11-16(15)28(26,27)22-18/h3-11,13,19,22H,12H2,1-2H3/t19-/m0/s1
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n/an/a 1.40E+3n/a 2.40E+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: 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))
BDBM30479
PNG
(1,1-dioxoisothiazole analog., 23)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(CCC(C)(C)C)C1=O)C(C)(C)C |r,w:14.16|
Show InChI InChI=1S/C23H32N2O5S/c1-8-30-15-11-9-10-14-17(24-31(28,29)19(14)15)16-18(26)20(23(5,6)7)25(21(16)27)13-12-22(2,3)4/h9-11,20,24H,8,12-13H2,1-7H3/t20-/m1/s1
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n/an/a 1.50E+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: 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))
BDBM30483
PNG
(1,1-dioxoisothiazole analog., 27)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(Cc2cccc(Cl)c2)C1=O)C(C)(C)C |r,w:14.16|
Show InChI InChI=1S/C24H25ClN2O5S/c1-5-32-17-11-7-10-16-19(26-33(30,31)21(16)17)18-20(28)22(24(2,3)4)27(23(18)29)13-14-8-6-9-15(25)12-14/h6-12,22,26H,5,13H2,1-4H3/t22-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem
Article
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n/an/a 1.60E+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: 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))
BDBM30475
PNG
(1,1-dioxoisothiazole analog., 19)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC#N |r,w:14.15|
Show InChI InChI=1S/C23H21N3O5S/c1-14(2)20-21(27)18(23(28)26(20)13-15-7-4-3-5-8-15)19-16-9-6-10-17(31-12-11-24)22(16)32(29,30)25-19/h3-10,14,20,25H,12-13H2,1-2H3/t20-/m0/s1
PDB

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UniChem
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n/an/a 1.60E+3n/a 1.20E+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: 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))
BDBM30482
PNG
(1,1-dioxoisothiazole analog., 26)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(CCC(C)(C)C)C1=O)c1cccs1 |r,w:14.16|
Show InChI InChI=1S/C23H26N2O5S2/c1-5-30-15-9-6-8-14-18(24-32(28,29)21(14)15)17-20(26)19(16-10-7-13-31-16)25(22(17)27)12-11-23(2,3)4/h6-10,13,19,24H,5,11-12H2,1-4H3/t19-/m0/s1
PDB

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n/an/a 2.90E+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: 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))
BDBM30476
PNG
(1,1-dioxoisothiazole analog., 20)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC(=O)N1CCOCC1 |r,w:14.15|
Show InChI InChI=1S/C27H29N3O7S/c1-17(2)24-25(32)22(27(33)30(24)15-18-7-4-3-5-8-18)23-19-9-6-10-20(26(19)38(34,35)28-23)37-16-21(31)29-11-13-36-14-12-29/h3-10,17,24,28H,11-16H2,1-2H3/t24-/m0/s1
PDB

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UniChem
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n/an/a 3.20E+3n/a>3.30E+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: 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))
BDBM30470
PNG
(1,1-dioxoisothiazole analog., 14)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@H](C(C)C)N(Cc2ccccc2)C1=O |r,w:14.16|
Show InChI InChI=1S/C23H24N2O5S/c1-4-30-17-12-8-11-16-19(24-31(28,29)22(16)17)18-21(26)20(14(2)3)25(23(18)27)13-15-9-6-5-7-10-15/h5-12,14,20,24H,4,13H2,1-3H3/t20-/m0/s1
PDB

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n/an/a 3.60E+3n/a 1.80E+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: 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))
BDBM30481
PNG
(1,1-dioxoisothiazole analog., 25)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@H](C2CCCCC2)N(CCC(C)(C)C)C1=O |r,w:14.16|
Show InChI InChI=1S/C25H34N2O5S/c1-5-32-18-13-9-12-17-20(26-33(30,31)23(17)18)19-22(28)21(16-10-7-6-8-11-16)27(24(19)29)15-14-25(2,3)4/h9,12-13,16,21,26H,5-8,10-11,14-15H2,1-4H3/t21-/m0/s1
PDB

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n/an/a 4.00E+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: 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))
BDBM30480
PNG
(1,1-dioxoisothiazole analog., 24)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@H](CC(C)C)N(CCC(C)(C)C)C1=O |r,w:14.16|
Show InChI InChI=1S/C23H32N2O5S/c1-7-30-17-10-8-9-15-19(24-31(28,29)21(15)17)18-20(26)16(13-14(2)3)25(22(18)27)12-11-23(4,5)6/h8-10,14,16,24H,7,11-13H2,1-6H3/t16-/m0/s1
PDB

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n/an/a 5.10E+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: 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))
BDBM30485
PNG
(1,1-dioxoisothiazole analog., 29)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(CCC(C)C)C1=O)C(C)(C)C |r,w:14.16|
Show InChI InChI=1S/C22H30N2O5S/c1-7-29-15-10-8-9-14-17(23-30(27,28)19(14)15)16-18(25)20(22(4,5)6)24(21(16)26)12-11-13(2)3/h8-10,13,20,23H,7,11-12H2,1-6H3/t20-/m1/s1
PDB

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n/an/a 5.10E+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: 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))
BDBM30478
PNG
(1,1-dioxoisothiazole analog., 22)
Show SMILES CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@H](C(C)C)N(CCC(C)(C)C)C1=O |r,w:14.16|
Show InChI InChI=1S/C22H30N2O5S/c1-7-29-15-10-8-9-14-17(23-30(27,28)20(14)15)16-19(25)18(13(2)3)24(21(16)26)12-11-22(4,5)6/h8-10,13,18,23H,7,11-12H2,1-6H3/t18-/m0/s1
PDB

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n/an/a 9.00E+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: 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))
BDBM30501
PNG
(benzo[b]thiophene-1,1-dioxide, 45)
Show SMILES CC(C)[C@]1(C)N(CCC(C)(C)C)C(=O)C(C1=O)C1=CS(=O)(=O)c2c1cccc2CN(C)S(C)(=O)=O |r,t:18|
Show InChI InChI=1S/C25H36N2O6S2/c1-16(2)25(6)22(28)20(23(29)27(25)13-12-24(3,4)5)19-15-35(32,33)21-17(10-9-11-18(19)21)14-26(7)34(8,30)31/h9-11,15-16,20H,12-14H2,1-8H3/t20?,25-/m0/s1
PDB

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n/an/a 1.30E+4n/an/an/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 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))
BDBM30474
PNG
(1,1-dioxoisothiazole analog., 18)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC(=O)C(C)(C)C |r,w:14.15|
Show InChI InChI=1S/C27H30N2O6S/c1-16(2)23-24(31)21(26(32)29(23)14-17-10-7-6-8-11-17)22-18-12-9-13-19(25(18)36(33,34)28-22)35-15-20(30)27(3,4)5/h6-13,16,23,28H,14-15H2,1-5H3/t23-/m0/s1
PDB

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UniChem
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n/an/a 2.10E+4n/a>3.30E+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: 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