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Compile Data Set for Download or QSAR

Found 182 hits with Last Name = 'lin-goerke' and Initial = 'j'   
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
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181954
PNG
((S)-5-tert-butyl-1-(3,3-dimethyl-butyl)-3-(1,1-dio...)
Show SMILES CC(C)(C)CCN1[C@H](C(=O)C(C1=O)C1=Nc2ccccc2S(=O)(=O)N1)C(C)(C)C |t:14|
Show InChI InChI=1S/C21H29N3O4S/c1-20(2,3)11-12-24-17(21(4,5)6)16(25)15(19(24)26)18-22-13-9-7-8-10-14(13)29(27,28)23-18/h7-10,15,17H,11-12H2,1-6H3,(H,22,23)/t15?,17-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 2205-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.034
BindingDB Entry DOI: 10.7270/Q26T0M6W
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181559
PNG
(1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BEN...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccc(F)cc12 |t:3|
Show InChI InChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181559
PNG
(1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BEN...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccc(F)cc12 |t:3|
Show InChI InChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA polymerase


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181559
PNG
(1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BEN...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccc(F)cc12 |t:3|
Show InChI InChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 2a NS5B RNA polymerase


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181650
PNG
(1-(2-cyclopropylethyl)-3-(1,1-dioxo-1,4-dihydro-1-...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccccc12 |t:3|
Show InChI InChI=1S/C21H19N3O4S/c25-19-14-5-1-3-7-16(14)24(12-11-13-9-10-13)21(26)18(19)20-22-15-6-2-4-8-17(15)29(27,28)23-20/h1-8,13,25H,9-12H2,(H,22,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181957
PNG
((S)-5-tert-butyl-3-(1,1-dioxo-1,4-dihydro-1-benzo[...)
Show SMILES CC(C)CCN1[C@H](C(=O)C(C1=O)C1=Nc2ccccc2S(=O)(=O)N1)C(C)(C)C |t:13|
Show InChI InChI=1S/C20H27N3O4S/c1-12(2)10-11-23-17(20(3,4)5)16(24)15(19(23)25)18-21-13-8-6-7-9-14(13)28(26,27)22-18/h6-9,12,15,17H,10-11H2,1-5H3,(H,21,22)/t15?,17-/m1/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 2205-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.034
BindingDB Entry DOI: 10.7270/Q26T0M6W
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181560
PNG
(3-(1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[1,2,4]th...)
Show SMILES CC(C)CCn1c2ccc(F)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:17|
Show InChI InChI=1S/C21H20FN3O4S/c1-12(2)9-10-25-16-8-7-13(22)11-14(16)19(26)18(21(25)27)20-23-15-5-3-4-6-17(15)30(28,29)24-20/h3-8,11-12,26H,9-10H2,1-2H3,(H,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181589
PNG
(1-(3,3-dimethylbutyl)-3-(1,1-dioxo-1,4-dihydrobenz...)
Show SMILES CC(C)(C)CCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:17|
Show InChI InChI=1S/C22H23N3O4S/c1-22(2,3)12-13-25-16-10-6-4-8-14(16)19(26)18(21(25)27)20-23-15-9-5-7-11-17(15)30(28,29)24-20/h4-11,26H,12-13H2,1-3H3,(H,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181569
PNG
(CHEMBL425221 | [3-(1,1-dioxo-1,4-dihydrobenzo[1,2,...)
Show SMILES CC(C)CCn1c2ccc(NCC(O)=O)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:21|
Show InChI InChI=1S/C23H24N4O6S/c1-13(2)9-10-27-17-8-7-14(24-12-19(28)29)11-15(17)21(30)20(23(27)31)22-25-16-5-3-4-6-18(16)34(32,33)26-22/h3-8,11,13,24,30H,9-10,12H2,1-2H3,(H,25,26)(H,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181956
PNG
((S)-1-benzyl-5-tert-butyl-3-(1,1-dioxo-1,4-dihydro...)
Show SMILES CC(C)(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)C1=Nc2ccccc2S(=O)(=O)N1 |t:20|
Show InChI InChI=1S/C22H23N3O4S/c1-22(2,3)19-18(26)17(21(27)25(19)13-14-9-5-4-6-10-14)20-23-15-11-7-8-12-16(15)30(28,29)24-20/h4-12,17,19H,13H2,1-3H3,(H,23,24)/t17?,19-/m1/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 2205-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.034
BindingDB Entry DOI: 10.7270/Q26T0M6W
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181588
PNG
(3-(1,1-dioxo-1,2-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES COc1ccc2n(CCC(C)C)c(=O)c(C3=Nc4ccccc4S(=O)(=O)N3)c(O)c2c1 |t:15|
Show InChI InChI=1S/C22H23N3O5S/c1-13(2)10-11-25-17-9-8-14(30-3)12-15(17)20(26)19(22(25)27)21-23-16-6-4-5-7-18(16)31(28,29)24-21/h4-9,12-13,26H,10-11H2,1-3H3,(H,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181584
PNG
(4-[3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-...)
Show SMILES CC(C)CCn1c2ccc(OCC(N)=O)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:21|
Show InChI InChI=1S/C23H24N4O6S/c1-13(2)9-10-27-17-8-7-14(33-12-19(24)28)11-15(17)21(29)20(23(27)30)22-25-16-5-3-4-6-18(16)34(31,32)26-22/h3-8,11,13,29H,9-10,12H2,1-2H3,(H2,24,28)(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181583
PNG
(3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(Cc2ccoc2)c2ccccc12 |t:3|
Show InChI InChI=1S/C21H15N3O5S/c25-19-14-5-1-3-7-16(14)24(11-13-9-10-29-12-13)21(26)18(19)20-22-15-6-2-4-8-17(15)30(27,28)23-20/h1-10,12,25H,11H2,(H,22,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181634
PNG
(6-Amino-1-(2-cyclopropylethyl)-3-(1,1-dioxo-1,4-di...)
Show SMILES Nc1ccc2n(CCC3CC3)c(=O)c(C3=Nc4ccccc4S(=O)(=O)N3)c(O)c2c1 |t:15|
Show InChI InChI=1S/C21H20N4O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10,22H2,(H,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM30406
PNG
(CHEMBL176058 | benzo[1,2,4]thiadiazine-1,1-dioxide...)
Show SMILES CC(C)CCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C21H21N3O4S/c1-13(2)11-12-24-16-9-5-3-7-14(16)19(25)18(21(24)26)20-22-15-8-4-6-10-17(15)29(27,28)23-20/h3-10,13,25H,11-12H2,1-2H3,(H,22,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181570
PNG
(5-chloro-3-(1,1-dioxo-1,2-dihydrobenzo[1,2,4]thiad...)
Show SMILES CC(C)CCn1c2cccc(Cl)c2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:17|
Show InChI InChI=1S/C21H20ClN3O4S/c1-12(2)10-11-25-15-8-5-6-13(22)17(15)19(26)18(21(25)27)20-23-14-7-3-4-9-16(14)30(28,29)24-20/h3-9,12,26H,10-11H2,1-2H3,(H,23,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181567
PNG
(4-[3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-...)
Show SMILES CC(C)CCn1c2ccc(OCC#N)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:20|
Show InChI InChI=1S/C23H22N4O5S/c1-14(2)9-11-27-18-8-7-15(32-12-10-24)13-16(18)21(28)20(23(27)29)22-25-17-5-3-4-6-19(17)33(30,31)26-22/h3-8,13-14,28H,9,11-12H2,1-2H3,(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181646
PNG
(1-(3-bromobenzyl)-3-(1,1-dioxo-1,4-dihydrobenzo[1,...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(Cc2cccc(Br)c2)c2ccccc12 |t:3|
Show InChI InChI=1S/C23H16BrN3O4S/c24-15-7-5-6-14(12-15)13-27-18-10-3-1-8-16(18)21(28)20(23(27)29)22-25-17-9-2-4-11-19(17)32(30,31)26-22/h1-12,28H,13H2,(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181666
PNG
(3-(1,1-dioxo-1,4-dihydro-1-benzo[1,2,4]thiadiazin-...)
Show SMILES CC1CC1Cn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:17|
Show InChI InChI=1S/C21H19N3O4S/c1-12-10-13(12)11-24-16-8-4-2-6-14(16)19(25)18(21(24)26)20-22-15-7-3-5-9-17(15)29(27,28)23-20/h2-9,12-13,25H,10-11H2,1H3,(H,22,23)
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n/an/a 41n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181579
PNG
(6-chloro-3-(1,1-dioxo-1,2-dihydrobenzo[1,2,4]thiad...)
Show SMILES CC(C)CCn1c2ccc(Cl)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:17|
Show InChI InChI=1S/C21H20ClN3O4S/c1-12(2)9-10-25-16-8-7-13(22)11-14(16)19(26)18(21(25)27)20-23-15-5-3-4-6-17(15)30(28,29)24-20/h3-8,11-12,26H,9-10H2,1-2H3,(H,23,24)
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n/an/a 43n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181615
PNG
(3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES CC(CCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O)C(F)(F)F |t:15|
Show InChI InChI=1S/C21H18F3N3O4S/c1-12(21(22,23)24)10-11-27-15-8-4-2-6-13(15)18(28)17(20(27)29)19-25-14-7-3-5-9-16(14)32(30,31)26-19/h2-9,12,28H,10-11H2,1H3,(H,25,26)
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n/an/a 44n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181623
PNG
(3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES CC(C)CCn1c2cccc(O)c2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:17|
Show InChI InChI=1S/C21H21N3O5S/c1-12(2)10-11-24-14-7-5-8-15(25)17(14)19(26)18(21(24)27)20-22-13-6-3-4-9-16(13)30(28,29)23-20/h3-9,12,25-26H,10-11H2,1-2H3,(H,22,23)
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n/an/a 47n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181601
PNG
(3-(1,1-dioxo-1,2-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES CC(C)CCn1c2ccc(C)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:17|
Show InChI InChI=1S/C22H23N3O4S/c1-13(2)10-11-25-17-9-8-14(3)12-15(17)20(26)19(22(25)27)21-23-16-6-4-5-7-18(16)30(28,29)24-21/h4-9,12-13,26H,10-11H2,1-3H3,(H,23,24)
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n/an/a 47n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181580
PNG
(1-(3,3-dimethylbutyl)-3-(1,1-dioxo-1,4-dihydrobenz...)
Show SMILES CC(C)(C)CCn1c2ccc(NCCO)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:21|
Show InChI InChI=1S/C24H28N4O5S/c1-24(2,3)10-12-28-18-9-8-15(25-11-13-29)14-16(18)21(30)20(23(28)31)22-26-17-6-4-5-7-19(17)34(32,33)27-22/h4-9,14,25,29-30H,10-13H2,1-3H3,(H,26,27)
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n/an/a 48n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181559
PNG
(1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BEN...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccc(F)cc12 |t:3|
Show InChI InChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24)
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n/an/a 49n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA polymerase


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181624
PNG
(1-cyclobutylmethyl-3-(1,1-dioxo-1,2-dihydrobenzo[1...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CC2CCC2)c2ccccc12 |t:3|
Show InChI InChI=1S/C21H19N3O4S/c25-19-14-8-1-3-10-16(14)24(12-13-6-5-7-13)21(26)18(19)20-22-15-9-2-4-11-17(15)29(27,28)23-20/h1-4,8-11,13,25H,5-7,12H2,(H,22,23)
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n/an/a 49n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181596
PNG
(3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES CSCCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:15|
Show InChI InChI=1S/C19H17N3O4S2/c1-27-11-10-22-14-8-4-2-6-12(14)17(23)16(19(22)24)18-20-13-7-3-5-9-15(13)28(25,26)21-18/h2-9,23H,10-11H2,1H3,(H,20,21)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181955
PNG
((S)-5-tert-butyl-3-(1,1-dioxo-1,4-dihydro-1-benzo[...)
Show SMILES CC(C)(C)[C@@H]1N(Cc2ccc(F)cc2)C(=O)C(C1=O)C1=Nc2ccccc2S(=O)(=O)N1 |t:21|
Show InChI InChI=1S/C22H22FN3O4S/c1-22(2,3)19-18(27)17(21(28)26(19)12-13-8-10-14(23)11-9-13)20-24-15-6-4-5-7-16(15)31(29,30)25-20/h4-11,17,19H,12H2,1-3H3,(H,24,25)/t17?,19-/m1/s1
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n/an/a 59n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 2205-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.034
BindingDB Entry DOI: 10.7270/Q26T0M6W
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181598
PNG
(3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(Cc2ccncc2)c2ccccc12 |t:3|
Show InChI InChI=1S/C22H16N4O4S/c27-20-15-5-1-3-7-17(15)26(13-14-9-11-23-12-10-14)22(28)19(20)21-24-16-6-2-4-8-18(16)31(29,30)25-21/h1-12,27H,13H2,(H,24,25)
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n/an/a 61n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181593
PNG
(6-amino-3-(1,1-dioxo-1,2-dihydrobenzo[1,2,4]thiadi...)
Show SMILES CC(C)CCn1c2ccc(N)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:17|
Show InChI InChI=1S/C21H22N4O4S/c1-12(2)9-10-25-16-8-7-13(22)11-14(16)19(26)18(21(25)27)20-23-15-5-3-4-6-17(15)30(28,29)24-20/h3-8,11-12,26H,9-10,22H2,1-2H3,(H,23,24)
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n/an/a 62n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181631
PNG
(3-(1,1-Dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES CCC(C)CCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:17|
Show InChI InChI=1S/C22H23N3O4S/c1-3-14(2)12-13-25-17-10-6-4-8-15(17)20(26)19(22(25)27)21-23-16-9-5-7-11-18(16)30(28,29)24-21/h4-11,14,26H,3,12-13H2,1-2H3,(H,23,24)
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n/an/a 65n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181660
PNG
(3-(1,1-dioxo-1,2-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CC2CC2)c2ccccc12 |t:3|
Show InChI InChI=1S/C20H17N3O4S/c24-18-13-5-1-3-7-15(13)23(11-12-9-10-12)20(25)17(18)19-21-14-6-2-4-8-16(14)28(26,27)22-19/h1-8,12,24H,9-11H2,(H,21,22)
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n/an/a 78n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181578
PNG
(3-(1,1-dioxo-1,4-dihydro-benzo[1,2,4]thiadiazin-3-...)
Show SMILES CCCCCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C21H21N3O4S/c1-2-3-8-13-24-16-11-6-4-9-14(16)19(25)18(21(24)26)20-22-15-10-5-7-12-17(15)29(27,28)23-20/h4-7,9-12,25H,2-3,8,13H2,1H3,(H,22,23)
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n/an/a 80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181653
PNG
(3-(1,1-dioxo-1,4-dihydro-1-benzo[1,2,4]thiadiazin-...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(Cc2cccc(c2)[N+]([O-])=O)c2ccccc12 |t:3|
Show InChI InChI=1S/C23H16N4O6S/c28-21-16-8-1-3-10-18(16)26(13-14-6-5-7-15(12-14)27(30)31)23(29)20(21)22-24-17-9-2-4-11-19(17)34(32,33)25-22/h1-12,28H,13H2,(H,24,25)
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n/an/a 81n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181654
PNG
(3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES COC(C)CCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:17|
Show InChI InChI=1S/C21H21N3O5S/c1-13(29-2)11-12-24-16-9-5-3-7-14(16)19(25)18(21(24)26)20-22-15-8-4-6-10-17(15)30(27,28)23-20/h3-10,13,25H,11-12H2,1-2H3,(H,22,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181605
PNG
(1-benzyl-3-(1,1-dioxo-1,2-dihydro-benzo[1,2,4]thia...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(Cc2ccccc2)c2ccccc12 |t:3|
Show InChI InChI=1S/C23H17N3O4S/c27-21-16-10-4-6-12-18(16)26(14-15-8-2-1-3-9-15)23(28)20(21)22-24-17-11-5-7-13-19(17)31(29,30)25-22/h1-13,27H,14H2,(H,24,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181958
PNG
((S)-1-benzyl-5-sec-butyl-3-(1,1-dioxo-1,4-dihydro-...)
Show SMILES CCC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)C1=Nc2ccccc2S(=O)(=O)N1 |t:20|
Show InChI InChI=1S/C22H23N3O4S/c1-3-14(2)19-20(26)18(22(27)25(19)13-15-9-5-4-6-10-15)21-23-16-11-7-8-12-17(16)30(28,29)24-21/h4-12,14,18-19H,3,13H2,1-2H3,(H,23,24)/t14?,18?,19-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 2205-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.034
BindingDB Entry DOI: 10.7270/Q26T0M6W
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181656
PNG
(1-(2-cyclopropylethyl)-3-(1,1-dioxo-1,4-dihydroben...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2c(F)cccc12 |t:3|
Show InChI InChI=1S/C21H18FN3O4S/c22-14-5-3-4-13-18(14)25(11-10-12-8-9-12)21(27)17(19(13)26)20-23-15-6-1-2-7-16(15)30(28,29)24-20/h1-7,12,26H,8-11H2,(H,23,24)
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n/an/a 90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181600
PNG
(1-but-3-enyl-3-(1,1-dioxo-1,2-dihydrobenzo[1,2,4]t...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC=C)c2ccccc12 |t:3|
Show InChI InChI=1S/C20H17N3O4S/c1-2-3-12-23-15-10-6-4-8-13(15)18(24)17(20(23)25)19-21-14-9-5-7-11-16(14)28(26,27)22-19/h2,4-11,24H,1,3,12H2,(H,21,22)
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n/an/a 90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181639
PNG
(1-(4-bromobenzyl)-3-(1,1-dioxo-1,4-dihydrobenzo[1,...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(Cc2ccc(Br)cc2)c2ccccc12 |t:3|
Show InChI InChI=1S/C23H16BrN3O4S/c24-15-11-9-14(10-12-15)13-27-18-7-3-1-5-16(18)21(28)20(23(27)29)22-25-17-6-2-4-8-19(17)32(30,31)26-22/h1-12,28H,13H2,(H,25,26)
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n/an/a 95n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181629
PNG
(5-bromo-3-(1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[...)
Show SMILES CC(C)CCn1c2cccc(Br)c2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:17|
Show InChI InChI=1S/C21H20BrN3O4S/c1-12(2)10-11-25-15-8-5-6-13(22)17(15)19(26)18(21(25)27)20-23-14-7-3-4-9-16(14)30(28,29)24-20/h3-9,12,26H,10-11H2,1-2H3,(H,23,24)
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n/an/a 105n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181609
PNG
(3-(1,1-dioxo-1,2-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCCC(F)(F)F)c2ccccc12 |t:3|
Show InChI InChI=1S/C20H16F3N3O4S/c21-20(22,23)10-5-11-26-14-8-3-1-6-12(14)17(27)16(19(26)28)18-24-13-7-2-4-9-15(13)31(29,30)25-18/h1-4,6-9,27H,5,10-11H2,(H,24,25)
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n/an/a 106n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181648
PNG
(3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES CC(C)Cn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:15|
Show InChI InChI=1S/C20H19N3O4S/c1-12(2)11-23-15-9-5-3-7-13(15)18(24)17(20(23)25)19-21-14-8-4-6-10-16(14)28(26,27)22-19/h3-10,12,24H,11H2,1-2H3,(H,21,22)
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n/an/a 108n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181608
PNG
(CHEMBL202310 | [3-(1,1-dioxo-1,4-dihydrobenzo[1,2,...)
Show SMILES CCOC(=O)CNc1ccc2n(CCC(C)C)c(=O)c(C3=Nc4ccccc4S(=O)(=O)N3)c(O)c2c1 |t:20|
Show InChI InChI=1S/C25H28N4O6S/c1-4-35-21(30)14-26-16-9-10-19-17(13-16)23(31)22(25(32)29(19)12-11-15(2)3)24-27-18-7-5-6-8-20(18)36(33,34)28-24/h5-10,13,15,26,31H,4,11-12,14H2,1-3H3,(H,27,28)
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n/an/a 115n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181641
PNG
(1-butyn-3-yl-3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]t...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC#C)c2ccccc12 |t:3|
Show InChI InChI=1S/C20H15N3O4S/c1-2-3-12-23-15-10-6-4-8-13(15)18(24)17(20(23)25)19-21-14-9-5-7-11-16(14)28(26,27)22-19/h1,4-11,24H,3,12H2,(H,21,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181655
PNG
(1-Cyclopentylmethyl-3-(1,1-dioxo-1,2-dihydrobenzo[...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CC2CCCC2)c2ccccc12 |t:3|
Show InChI InChI=1S/C22H21N3O4S/c26-20-15-9-3-5-11-17(15)25(13-14-7-1-2-8-14)22(27)19(20)21-23-16-10-4-6-12-18(16)30(28,29)24-21/h3-6,9-12,14,26H,1-2,7-8,13H2,(H,23,24)
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n/an/a 132n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181642
PNG
(3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES CC(C)CCn1c2cccc(-c3ccccc3)c2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:23|
Show InChI InChI=1S/C27H25N3O4S/c1-17(2)15-16-30-21-13-8-11-19(18-9-4-3-5-10-18)23(21)25(31)24(27(30)32)26-28-20-12-6-7-14-22(20)35(33,34)29-26/h3-14,17,31H,15-16H2,1-2H3,(H,28,29)
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n/an/a 144n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181964
PNG
((S)-3-(1,1-dioxo-1,4-dihydro-1-benzo[1,2,4]thiadia...)
Show SMILES CC(C)CCN1[C@@H](C(C)C)C(=O)C(C1=O)C1=Nc2ccccc2S(=O)(=O)N1 |t:16|
Show InChI InChI=1S/C19H25N3O4S/c1-11(2)9-10-22-16(12(3)4)17(23)15(19(22)24)18-20-13-7-5-6-8-14(13)27(25,26)21-18/h5-8,11-12,15-16H,9-10H2,1-4H3,(H,20,21)/t15?,16-/m0/s1
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 2205-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.034
BindingDB Entry DOI: 10.7270/Q26T0M6W
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181587
PNG
(1-(2-butenyl)-3-(1,1-dioxo-1,4-dihydro-benzo[1,2,4...)
Show SMILES C\C=C\Cn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:15|
Show InChI InChI=1S/C20H17N3O4S/c1-2-3-12-23-15-10-6-4-8-13(15)18(24)17(20(23)25)19-21-14-9-5-7-11-16(14)28(26,27)22-19/h2-11,24H,12H2,1H3,(H,21,22)/b3-2+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181659
PNG
(4-[3-(1,1-dioxo-1,2-dihydrobenzo[1,2,4]benzothiadi...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCCC#N)c2ccccc12 |t:3|
Show InChI InChI=1S/C20H16N4O4S/c21-11-5-6-12-24-15-9-3-1-7-13(15)18(25)17(20(24)26)19-22-14-8-2-4-10-16(14)29(27,28)23-19/h1-4,7-10,25H,5-6,12H2,(H,22,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
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