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14 molecules are shown

Wt: 468.5
BDBM30545
Wt: 493.5
BDBM30410
Wt: 474.5
BDBM30422
Wt: 444.5
BDBM30423
Wt: 460.5
BDBM30424
Wt: 517.5
BDBM30425
Wt: 531.6
BDBM30426
Wt: 545.6
BDBM30427
Wt: 545.6
BDBM30428
Wt: 531.6
BDBM30429
Wt: 533.5
BDBM30430
Wt: 560.6
BDBM30432
Wt: 532.5
BDBM30433
Wt: 499.5
BDBM30434

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 30545,30410,30422,30423,30424,30425,30426,30427,30428,30429,30430,30432,30433,30434   
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))
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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PDB
Article
PubMed
n/an/a<10n/a 8.5n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30422
PNG
(pyridazinone derivative, 8a)
Show SMILES COc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c(nn(CCC(C)C)c1=O)-c1cccs1
Show InChI InChI=1S/C21H22N4O5S2/c1-12(2)8-9-25-21(27)17(19(26)18(23-25)15-5-4-10-31-15)20-22-14-7-6-13(30-3)11-16(14)32(28,29)24-20/h4-7,10-12,26H,8-9H2,1-3H3,(H,22,24)
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Article
PubMed
n/an/a 3.80E+3n/a 2.60E+4n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 1413-8 (2008)


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30423
PNG
(pyridazinone derivative, 8b)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C20H20N4O4S2/c1-12(2)9-10-24-20(26)16(18(25)17(22-24)14-7-5-11-29-14)19-21-13-6-3-4-8-15(13)30(27,28)23-19/h3-8,11-12,25H,9-10H2,1-2H3,(H,21,23)
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Article
PubMed
n/an/a 1.30E+3n/a 7.10E+3n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 1413-8 (2008)


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30424
PNG
(pyridazinone derivative, 8c)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C20H20N4O5S2/c1-11(2)7-8-24-20(27)16(18(26)17(22-24)14-4-3-9-30-14)19-21-13-6-5-12(25)10-15(13)31(28,29)23-19/h3-6,9-11,25-26H,7-8H2,1-2H3,(H,21,23)
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Article
PubMed
n/an/a 340n/a 6.50E+3n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 1413-8 (2008)


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30425
PNG
(pyridazinone derivative, 8d)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OCC(N)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C22H23N5O6S2/c1-12(2)7-8-27-22(30)18(20(29)19(25-27)15-4-3-9-34-15)21-24-14-6-5-13(33-11-17(23)28)10-16(14)35(31,32)26-21/h3-6,9-10,12,29H,7-8,11H2,1-2H3,(H2,23,28)(H,24,26)
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Article
PubMed
n/an/a 70n/a 410n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 1413-8 (2008)


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30426
PNG
(Racemic | pyridazinone derivative, 8e)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OC(C)C(N)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C23H25N5O6S2/c1-12(2)8-9-28-23(31)18(20(29)19(26-28)16-5-4-10-35-16)22-25-15-7-6-14(34-13(3)21(24)30)11-17(15)36(32,33)27-22/h4-7,10-13,29H,8-9H2,1-3H3,(H2,24,30)(H,25,27)
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PDB
Article
PubMed
n/an/a 62n/a 210n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 1413-8 (2008)


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30545
PNG
(pyridazinone derivative, 3)
Show SMILES COc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c(nn(CCC(C)C)c1=O)-c1ccccc1
Show InChI InChI=1S/C23H24N4O5S/c1-14(2)11-12-27-23(29)19(21(28)20(25-27)15-7-5-4-6-8-15)22-24-17-10-9-16(32-3)13-18(17)33(30,31)26-22/h4-10,13-14,28H,11-12H2,1-3H3,(H,24,26)
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n/an/a 3.30E+4n/an/an/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 1413-8 (2008)


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


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

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Article
PubMed
n/an/a 1.55E+3n/a 7.60E+3n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 1413-8 (2008)


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


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

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UniChem

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Article
PubMed
n/an/a 92n/a 710n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 1413-8 (2008)


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30430
PNG
(pyridazinone derivative, 8i)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OCC(=O)NO)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C22H23N5O7S2/c1-12(2)7-8-27-22(30)18(20(29)19(24-27)15-4-3-9-35-15)21-23-14-6-5-13(34-11-17(28)25-31)10-16(14)36(32,33)26-21/h3-6,9-10,12,29,31H,7-8,11H2,1-2H3,(H,23,26)(H,25,28)
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PubMed
n/an/a 100n/a 1.10E+3n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 1413-8 (2008)


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30432
PNG
(Racemic | pyridazinone derivative, 8k)
Show SMILES CCOC(=O)C(C)Oc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c(nn(CCC(C)C)c1=O)-c1cccs1
Show InChI InChI=1S/C25H28N4O7S2/c1-5-35-25(32)15(4)36-16-8-9-17-19(13-16)38(33,34)28-23(26-17)20-22(30)21(18-7-6-12-37-18)27-29(24(20)31)11-10-14(2)3/h6-9,12-15,30H,5,10-11H2,1-4H3,(H,26,28)
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Article
PubMed
n/an/a 6.30E+3n/a>1.00E+4n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 1413-8 (2008)


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


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

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Article
PubMed
n/an/a 370n/a 5.30E+4n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 1413-8 (2008)


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


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

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PubMed
n/an/a 570n/a 540n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 1413-8 (2008)


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30427
PNG
(pyridazinone derivative, 8f)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OC(C)(C)C(N)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C24H27N5O6S2/c1-13(2)9-10-29-22(31)18(20(30)19(27-29)16-6-5-11-36-16)21-26-15-8-7-14(35-24(3,4)23(25)32)12-17(15)37(33,34)28-21/h5-8,11-13,30H,9-10H2,1-4H3,(H2,25,32)(H,26,28)
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PubMed
n/an/a 1.60E+3n/a 8.20E+3n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 1413-8 (2008)


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