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14 molecules are shown

Wt: 537.6
BDBM30407
Wt: 444.5
BDBM30423
Wt: 527.6
BDBM30437
Wt: 501.5
BDBM30438
Wt: 511.5
BDBM30442
Wt: 469.5
BDBM30444
Wt: 511.5
BDBM30446
Wt: 536.6
BDBM30448
Wt: 564.6
BDBM30458
Wt: 548.6
BDBM30459
Wt: 520.6
BDBM30460
Wt: 556.6
BDBM30461
Wt: 570.6
BDBM30463
Wt: 550.6
BDBM30464

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 30407,30423,30437,30438,30442,30444,30446,30448,30458,30459,30460,30461,30463,30464   
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))
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...


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))
BDBM30464
PNG
(benzothiazine-containing analog, 3h)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(cc3S(=O)(=O)C2)N(C)S(C)(=O)=O)c1=O
Show InChI InChI=1S/C23H26N4O6S3/c1-14(2)9-10-27-23(29)20(22(28)21(25-27)18-6-5-11-34-18)17-13-36(32,33)19-12-15(7-8-16(19)24-17)26(3)35(4,30)31/h5-8,11-12,14,28H,9-10,13H2,1-4H3
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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: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30437
PNG
(pyridazinone derivative, 8p)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NC(=O)C4CC4)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C24H25N5O5S2/c1-13(2)9-10-29-24(32)19(21(30)20(27-29)17-4-3-11-35-17)22-26-16-8-7-15(25-23(31)14-5-6-14)12-18(16)36(33,34)28-22/h3-4,7-8,11-14,30H,5-6,9-10H2,1-2H3,(H,25,31)(H,26,28)
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n/an/a 8.00E+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: 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))
BDBM30438
PNG
(pyridazinone derivative, 8q)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NC(C)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C22H23N5O5S2/c1-12(2)8-9-27-22(30)18(20(29)19(25-27)16-5-4-10-33-16)21-24-15-7-6-14(23-13(3)28)11-17(15)34(31,32)26-21/h4-7,10-12,29H,8-9H2,1-3H3,(H,23,28)(H,24,26)
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n/an/a 1.10E+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: 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))
BDBM30442
PNG
(pyridazinone derivative, 8u)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(cc3S(=O)(=O)N2)-c2cnoc2)c1=O
Show InChI InChI=1S/C23H21N5O5S2/c1-13(2)7-8-28-23(30)19(21(29)20(26-28)17-4-3-9-34-17)22-25-16-6-5-14(15-11-24-33-12-15)10-18(16)35(31,32)27-22/h3-6,9-13,29H,7-8H2,1-2H3,(H,25,27)
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n/an/a 2.10E+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: 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))
BDBM30444
PNG
(pyridazinone derivative, 8w)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(cc3S(=O)(=O)N2)C#N)c1=O
Show InChI InChI=1S/C21H19N5O4S2/c1-12(2)7-8-26-21(28)17(19(27)18(24-26)15-4-3-9-31-15)20-23-14-6-5-13(11-22)10-16(14)32(29,30)25-20/h3-6,9-10,12,27H,7-8H2,1-2H3,(H,23,25)
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n/an/a 710n/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
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30446
PNG
(pyridazinone derivative, 8y)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(cc3S(=O)(=O)N2)-c2c[nH]nn2)c1=O
Show InChI InChI=1S/C22H21N7O4S2/c1-12(2)7-8-29-22(31)18(20(30)19(26-29)16-4-3-9-34-16)21-24-14-6-5-13(15-11-23-28-25-15)10-17(14)35(32,33)27-21/h3-6,9-12,30H,7-8H2,1-2H3,(H,24,27)(H,23,25,28)
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n/an/a 290n/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
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...


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
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))
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...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30459
PNG
(benzothiazine-containing analog, 3c)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(CS(=O)(=O)c2c1)c1c(O)c(nn(CC2CCCC2)c1=O)-c1cccs1
Show InChI InChI=1S/C23H24N4O6S3/c1-35(30,31)26-15-8-9-16-19(11-15)36(32,33)13-17(24-16)20-22(28)21(18-7-4-10-34-18)25-27(23(20)29)12-14-5-2-3-6-14/h4,7-11,14,26,28H,2-3,5-6,12-13H2,1H3
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n/an/a 39n/a 15n/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: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
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...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
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...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30463
PNG
(benzothiazine-containing analog, 3g)
Show SMILES Cc1ccc(s1)-c1nn(Cc2ccccc2)c(=O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1O
Show InChI InChI=1S/C25H22N4O6S3/c1-15-8-11-20(36-15)23-24(30)22(25(31)29(27-23)13-16-6-4-3-5-7-16)19-14-38(34,35)21-12-17(28-37(2,32)33)9-10-18(21)26-19/h3-12,28,30H,13-14H2,1-2H3
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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: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
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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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