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15 molecules are shown

Wt: 488.9
BDBM30483
Wt: 506.9
BDBM30484
Wt: 535.9
BDBM30487
Wt: 517.9
BDBM30488
Wt: 396.4
BDBM30469
Wt: 412.4
BDBM30471
Wt: 570.0
BDBM30490
Wt: 584.0
BDBM30491
Wt: 556.0
BDBM30492
Wt: 511.6
BDBM30495
Wt: 510.6
BDBM30496
Wt: 539.9
BDBM30497
Wt: 554.0
BDBM30498
Wt: 570.0
BDBM30499
Wt: 556.0
BDBM30500

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 30483,30484,30487,30488,30469,30471,30490,30491,30492,30495,30496,30497,30498,30499,30500   
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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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
RNA polymerase (NS5B)


(Hepatitis C virus (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 10n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of HSV1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product


Bioorg Med Chem Lett 19: 5652-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.022
BindingDB Entry DOI: 10.7270/Q2N016K0
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))
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
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))
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
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))
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
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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PubMed
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))
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...


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
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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PubMed
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))
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
PDB

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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))
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...


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))
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
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))
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
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))
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
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))
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
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))
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
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
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