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15 molecules are shown

Wt: 469.5
BDBM30472
Wt: 483.5
BDBM30473
Wt: 510.6
BDBM30474
Wt: 451.4
BDBM30475
Wt: 539.6
BDBM30476
Wt: 434.5
BDBM30478
Wt: 448.5
BDBM30479
Wt: 488.9
BDBM30483
Wt: 434.5
BDBM30485
Wt: 404.5
BDBM30486
Wt: 396.4
BDBM30469
Wt: 440.5
BDBM30470
Wt: 412.4
BDBM30471
Wt: 556.0
BDBM30492
Wt: 511.6
BDBM30495

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 30472,30473,30474,30475,30476,30478,30479,30483,30485,30486,30469,30470,30471,30492,30495   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM30469
PNG
(1,1-dioxoisothiazole analog., 3)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2ccccc12
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
PDB

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Article
PubMed
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
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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PubMed
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))
BDBM30471
PNG
(1,1-dioxoisothiazole analog., 15)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2O
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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PubMed
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
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
PDB

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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))
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
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))
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
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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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
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
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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PubMed
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))
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
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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Article
PubMed
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))
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
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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Article
PubMed
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))
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
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
PDB

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PubMed
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
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
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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))
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
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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PubMed
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))
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
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))
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
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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PubMed
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))
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
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
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PubMed
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