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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50017397   
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
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181735
PNG
(5-(5-[2-chloro-5-(trifluoromethyl)phenyl]-furan-2-...)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)o1 |w:15.15|
Show InChI InChI=1S/C21H12ClF3N2O4S3/c22-16-8-6-12(21(23,24)25)10-15(16)17-9-7-13(31-17)11-18-19(28)27(20(32)33-18)26-34(29,30)14-4-2-1-3-5-14/h1-11,26H
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181720
PNG
(5-(3,4-dibromobenzylidene)-3-(benzenesulfonylamino...)
Show SMILES Brc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1Br |w:5.4|
Show InChI InChI=1S/C16H10Br2N2O3S3/c17-12-7-6-10(8-13(12)18)9-14-15(21)20(16(24)25-14)19-26(22,23)11-4-2-1-3-5-11/h1-9,19H
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181685
PNG
(CHEMBL202580 | N-(5-(3,4-dichlorobenzylidene)-4-ox...)
Show SMILES Clc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1Cl |w:5.4|
Show InChI InChI=1S/C16H10Cl2N2O3S3/c17-12-7-6-10(8-13(12)18)9-14-15(21)20(16(24)25-14)19-26(22,23)11-4-2-1-3-5-11/h1-9,19H
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181684
PNG
(5-(2-methyl-3-phenyl-allylidene)-3-(benzenesulfony...)
Show SMILES CC(C=C1SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O)=Cc1ccccc1 |w:2.1,20.22|
Show InChI InChI=1S/C19H16N2O3S3/c1-14(12-15-8-4-2-5-9-15)13-17-18(22)21(19(25)26-17)20-27(23,24)16-10-6-3-7-11-16/h2-13,20H,1H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181692
PNG
(5-(3,4-dichlorobenzylidene)-3-(2-thiophenesulfonyl...)
Show SMILES Clc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3cccs3)C2=O)cc1Cl |w:5.4|
Show InChI InChI=1S/C14H8Cl2N2O3S4/c15-9-4-3-8(6-10(9)16)7-11-13(19)18(14(22)24-11)17-25(20,21)12-2-1-5-23-12/h1-7,17H
PDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181693
PNG
(5-(3,4-dichlorobenzylidene)-3-(2-fluorobenzenesulf...)
Show SMILES OC1N(NS(=O)(=O)c2ccccc2F)C(=S)S\C1=C/c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H11Cl2FN2O3S3/c17-10-6-5-9(7-11(10)18)8-13-15(22)21(16(25)26-13)20-27(23,24)14-4-2-1-3-12(14)19/h1-8,15,20,22H/b13-8-
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181696
PNG
(5-(2,4,5-trifluorobenzylidene)-3-(benzenesulfonyla...)
Show SMILES Fc1cc(F)c(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1F |w:6.5|
Show InChI InChI=1S/C16H9F3N2O3S3/c17-11-8-13(19)12(18)6-9(11)7-14-15(22)21(16(25)26-14)20-27(23,24)10-4-2-1-3-5-10/h1-8,20H
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181705
PNG
(5-(3,4-dichlorobenzylidene)-3-(4-chlorobenzenesulf...)
Show SMILES OC1N(NS(=O)(=O)c2ccc(Cl)cc2)C(=S)S\C1=C/c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H11Cl3N2O3S3/c17-10-2-4-11(5-3-10)27(23,24)20-21-15(22)14(26-16(21)25)8-9-1-6-12(18)13(19)7-9/h1-8,15,20,22H/b14-8-
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181701
PNG
(5-(3,4-dichlorobenzylidene)-3-(4-methylbenzenesulf...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NN1C(O)\C(SC1=S)=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H14Cl2N2O3S3/c1-10-2-5-12(6-3-10)27(23,24)20-21-16(22)15(26-17(21)25)9-11-4-7-13(18)14(19)8-11/h2-9,16,20,22H,1H3/b15-9-
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181726
PNG
(5-(3,4-dichlorophenyl-1-ethylene)-3-(benzenesulfon...)
Show SMILES Oc1c(sc(=S)n1NS(=O)(=O)c1ccccc1)C(=C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H12Cl2N2O3S3/c1-10(11-7-8-13(18)14(19)9-11)15-16(22)21(17(25)26-15)20-27(23,24)12-5-3-2-4-6-12/h2-9,20,22H,1H2
PDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181713
PNG
(5-(3,4-dichlorobenzylidene)-3-(butylsulfonylamino)...)
Show SMILES CCCCS(=O)(=O)NN1C(=S)SC(=Cc2ccc(Cl)c(Cl)c2)C1=O |w:13.13|
Show InChI InChI=1S/C14H14Cl2N2O3S3/c1-2-3-6-24(20,21)17-18-13(19)12(23-14(18)22)8-9-4-5-10(15)11(16)7-9/h4-5,7-8,17H,2-3,6H2,1H3
PDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181700
PNG
(5-(3,4-dichlorobenzylidene)-3-(4-fluorobenzenesulf...)
Show SMILES OC1N(NS(=O)(=O)c2ccc(F)cc2)C(=S)S\C1=C/c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H11Cl2FN2O3S3/c17-12-6-1-9(7-13(12)18)8-14-15(22)21(16(25)26-14)20-27(23,24)11-4-2-10(19)3-5-11/h1-8,15,20,22H/b14-8-
PDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181722
PNG
(5-(4-bromobenzylidene)-3-(benzenesulfonylamino)-4-...)
Show SMILES Brc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 |w:5.4|
Show InChI InChI=1S/C16H11BrN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-10,18H
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181725
PNG
(5-(3,4-dichlorobenzylidene)-3-(3-methoxybenzenesul...)
Show SMILES COc1cccc(c1)S(=O)(=O)NN1C(O)\C(SC1=S)=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H14Cl2N2O4S3/c1-25-11-3-2-4-12(9-11)28(23,24)20-21-16(22)15(27-17(21)26)8-10-5-6-13(18)14(19)7-10/h2-9,16,20,22H,1H3/b15-8-
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181686
PNG
(5-(4-cyanobenzylidene)-3-(benzenesulfonylamino)-4-...)
Show SMILES O=C1N(NS(=O)(=O)c2ccccc2)C(=S)SC1=Cc1ccc(cc1)C#N |w:17.19|
Show InChI InChI=1S/C17H11N3O3S3/c18-11-13-8-6-12(7-9-13)10-15-16(21)20(17(24)25-15)19-26(22,23)14-4-2-1-3-5-14/h1-10,19H
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181695
PNG
(5-(4-nitrobenzylidene)-3-amino-4-oxo-2-thionothiaz...)
Show SMILES NN1C(=S)S\C(=C/c2ccc(cc2)[N+]([O-])=O)C1=O
Show InChI InChI=1S/C10H7N3O3S2/c11-12-9(14)8(18-10(12)17)5-6-1-3-7(4-2-6)13(15)16/h1-5H,11H2/b8-5-
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181717
PNG
(5-(3,4,5-trifluorobenzylidene)-3-(benzenesulfonyla...)
Show SMILES Fc1cc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc(F)c1F |w:4.3|
Show InChI InChI=1S/C16H9F3N2O3S3/c17-11-6-9(7-12(18)14(11)19)8-13-15(22)21(16(25)26-13)20-27(23,24)10-4-2-1-3-5-10/h1-8,20H
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181699
PNG
(5-(4-fluorobenzylidene)-3-(benzenesulfonylamino)-4...)
Show SMILES Fc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 |w:5.4|
Show InChI InChI=1S/C16H11FN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-10,18H
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181714
PNG
(5-(4-trifluoromethylbenzylidene)-3-(benzenesulfony...)
Show SMILES FC(F)(F)c1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 |w:8.7|
Show InChI InChI=1S/C17H11F3N2O3S3/c18-17(19,20)12-8-6-11(7-9-12)10-14-15(23)22(16(26)27-14)21-28(24,25)13-4-2-1-3-5-13/h1-10,21H
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181694
PNG
(5-(4-chloro-3-fluorobenzylidene)-3-(benzenesulfony...)
Show SMILES Fc1cc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1Cl |w:4.3|
Show InChI InChI=1S/C16H10ClFN2O3S3/c17-12-7-6-10(8-13(12)18)9-14-15(21)20(16(24)25-14)19-26(22,23)11-4-2-1-3-5-11/h1-9,19H
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181687
PNG
(5-(4-chlorobenzylidene)-3-(benzenesulfonylamino)-4...)
Show SMILES Clc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 |w:5.4|
Show InChI InChI=1S/C16H11ClN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-10,18H
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181690
PNG
(5-(2,5-difluorobenzylidene)-3-(benzenesulfonylamin...)
Show SMILES Fc1ccc(F)c(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1 |w:7.6|
Show InChI InChI=1S/C16H10F2N2O3S3/c17-11-6-7-13(18)10(8-11)9-14-15(21)20(16(24)25-14)19-26(22,23)12-4-2-1-3-5-12/h1-9,19H
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181704
PNG
(5-(2,3,4-trifluorobenzylidene)-3-(benzenesulfonyla...)
Show SMILES Fc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c(F)c1F |w:5.4|
Show InChI InChI=1S/C16H9F3N2O3S3/c17-11-7-6-9(13(18)14(11)19)8-12-15(22)21(16(25)26-12)20-27(23,24)10-4-2-1-3-5-10/h1-8,20H
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n/an/a 1.90E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181706
PNG
(5-(4-nitrobenzylidene)-3-(benzenesulfonylamino)-4-...)
Show SMILES [O-][N+](=O)c1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 |w:7.6|
Show InChI InChI=1S/C16H11N3O5S3/c20-15-14(10-11-6-8-12(9-7-11)19(21)22)26-16(25)18(15)17-27(23,24)13-4-2-1-3-5-13/h1-10,17H
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n/an/a 2.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181710
PNG
(5-(3,4-dichlorobenzylidene)-3-(methanesulfonylamin...)
Show SMILES CS(=O)(=O)NN1C(=S)SC(=Cc2ccc(Cl)c(Cl)c2)C1=O |w:10.10|
Show InChI InChI=1S/C11H8Cl2N2O3S3/c1-21(17,18)14-15-10(16)9(20-11(15)19)5-6-2-3-7(12)8(13)4-6/h2-5,14H,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181707
PNG
(5-(2-naphthylmethylene)-3-(benzenesulfonylamino)-4...)
Show SMILES O=C1N(NS(=O)(=O)c2ccccc2)C(=S)SC1=Cc1ccc2ccccc2c1 |w:17.19|
Show InChI InChI=1S/C20H14N2O3S3/c23-19-18(13-14-10-11-15-6-4-5-7-16(15)12-14)27-20(26)22(19)21-28(24,25)17-8-2-1-3-9-17/h1-13,21H
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n/an/a 3.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181689
PNG
(5-(2,4-difluorobenzylidene)-3-(benzenesulfonylamin...)
Show SMILES Fc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c(F)c1 |w:5.4|
Show InChI InChI=1S/C16H10F2N2O3S3/c17-11-7-6-10(13(18)9-11)8-14-15(21)20(16(24)25-14)19-26(22,23)12-4-2-1-3-5-12/h1-9,19H
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n/an/a 3.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181708
PNG
(5-(3-methoxybenzylidene)-3-(benzenesulfonylamino)-...)
Show SMILES COc1cccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1 |w:7.6|
Show InChI InChI=1S/C17H14N2O4S3/c1-23-13-7-5-6-12(10-13)11-15-16(20)19(17(24)25-15)18-26(21,22)14-8-3-2-4-9-14/h2-11,18H,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181697
PNG
(5-(4-methoxybenzylidene)-3-(benzenesulfonylamino)-...)
Show SMILES COc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 |w:6.5|
Show InChI InChI=1S/C17H14N2O4S3/c1-23-13-9-7-12(8-10-13)11-15-16(20)19(17(24)25-15)18-26(21,22)14-5-3-2-4-6-14/h2-11,18H,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181715
PNG
(5-(3,4-dichlorobenzylidene)-3-(4-methoxybenzenesul...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NN1C(O)\C(SC1=S)=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H14Cl2N2O4S3/c1-25-11-3-5-12(6-4-11)28(23,24)20-21-16(22)15(27-17(21)26)9-10-2-7-13(18)14(19)8-10/h2-9,16,20,22H,1H3/b15-9-
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n/an/a 6.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181691
PNG
(5-(2-fluorobenzylidene)-3-(benzenesulfonylamino)-4...)
Show SMILES Fc1ccccc1C=C1SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O |w:7.7|
Show InChI InChI=1S/C16H11FN2O3S3/c17-13-9-5-4-6-11(13)10-14-15(20)19(16(23)24-14)18-25(21,22)12-7-2-1-3-8-12/h1-10,18H
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n/an/a 6.50E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181709
PNG
(5-(4-cyanobenzylidene)-3-amino-4-oxo-2-thionothiaz...)
Show SMILES NN1C(=S)S\C(=C/c2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C11H7N3OS2/c12-6-8-3-1-7(2-4-8)5-9-10(15)14(13)11(16)17-9/h1-5H,13H2/b9-5-
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n/an/a 7.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181727
PNG
(5-(4-fluorobenzylidene)-3-amino-4-oxo-2-thionothia...)
Show SMILES NN1C(=S)S\C(=C/c2ccc(F)cc2)C1=O
Show InChI InChI=1S/C10H7FN2OS2/c11-7-3-1-6(2-4-7)5-8-9(14)13(12)10(15)16-8/h1-5H,12H2/b8-5-
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n/an/a 7.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181719
PNG
(5-(3,4-dimethylbenzylidene)-3-(benzenesulfonylamin...)
Show SMILES Cc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1C |w:5.4|
Show InChI InChI=1S/C18H16N2O3S3/c1-12-8-9-14(10-13(12)2)11-16-17(21)20(18(24)25-16)19-26(22,23)15-6-4-3-5-7-15/h3-11,19H,1-2H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181718
PNG
(5-(4-methylbenzylidene)-3-(benzenesulfonylamino)-4...)
Show SMILES Cc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 |w:5.4|
Show InChI InChI=1S/C17H14N2O3S3/c1-12-7-9-13(10-8-12)11-15-16(20)19(17(23)24-15)18-25(21,22)14-5-3-2-4-6-14/h2-11,18H,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181734
PNG
(5-(3,4-dichlorobenzyl)-3-(benzenesulfonylamino)-4-...)
Show SMILES Oc1c(Cc2ccc(Cl)c(Cl)c2)sc(=S)n1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H12Cl2N2O3S3/c17-12-7-6-10(8-13(12)18)9-14-15(21)20(16(24)25-14)19-26(22,23)11-4-2-1-3-5-11/h1-8,19,21H,9H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181688
PNG
(5-(5-benzo[1,3]dioxolemethylene)-3-(benzenesulfony...)
Show SMILES O=C1N(NS(=O)(=O)c2ccccc2)C(=S)SC1=Cc1ccc2OCOc2c1 |w:17.19|
Show InChI InChI=1S/C17H12N2O5S3/c20-16-15(9-11-6-7-13-14(8-11)24-10-23-13)26-17(25)19(16)18-27(21,22)12-4-2-1-3-5-12/h1-9,18H,10H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181702
PNG
(5-(3-pyridylmethylene)-3-(benzenesulfonylamino)-4-...)
Show SMILES O=C1N(NS(=O)(=O)c2ccccc2)C(=S)SC1=Cc1cccnc1 |w:17.19|
Show InChI InChI=1S/C15H11N3O3S3/c19-14-13(9-11-5-4-8-16-10-11)23-15(22)18(14)17-24(20,21)12-6-2-1-3-7-12/h1-10,17H
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n/an/a 1.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181733
PNG
((Z)-3-Amino-5-(4'-chlorobenzylidene)-2-thioxothiaz...)
Show SMILES NN1C(=S)S\C(=C/c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C10H7ClN2OS2/c11-7-3-1-6(2-4-7)5-8-9(14)13(12)10(15)16-8/h1-5H,12H2/b8-5-
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n/an/a 1.60E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50092268
PNG
(5-(4-nitrobenzylidene)-2-thioxothiazolidin-4-one |...)
Show SMILES [O-][N+](=O)c1ccc(C=C2SC(S)=NC2=O)cc1 |w:7.6,c:11|
Show InChI InChI=1S/C10H6N2O3S2/c13-9-8(17-10(16)11-9)5-6-1-3-7(4-2-6)12(14)15/h1-5H,(H,11,13,16)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181711
PNG
(5-(3-methylbenzylidene)-3-(benzenesulfonylamino)-4...)
Show SMILES Cc1cccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1 |w:6.5|
Show InChI InChI=1S/C17H14N2O3S3/c1-12-6-5-7-13(10-12)11-15-16(20)19(17(23)24-15)18-25(21,22)14-8-3-2-4-9-14/h2-11,18H,1H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181723
PNG
(5-(3,4-dichlorobenzyl)-3-(benzenesulfonylamino)-4-...)
Show SMILES OC1C(Cc2ccc(Cl)c(Cl)c2)SC(=S)N1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H14Cl2N2O3S3/c17-12-7-6-10(8-13(12)18)9-14-15(21)20(16(24)25-14)19-26(22,23)11-4-2-1-3-5-11/h1-8,14-15,19,21H,9H2
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n/an/a 2.70E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (strain CP7) (BVDV) (M...)
BDBM50181687
PNG
(5-(4-chlorobenzylidene)-3-(benzenesulfonylamino)-4...)
Show SMILES Clc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 |w:5.4|
Show InChI InChI=1S/C16H11ClN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-10,18H
PDB
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against BVDV NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181698
PNG
(5-(4-chlorobenzylidene)-3-(benzoylamino)-4-oxo-2-t...)
Show SMILES Clc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 |w:5.4|
Show InChI InChI=1S/C17H11ClN2O2S2/c18-13-8-6-11(7-9-13)10-14-16(22)20(17(23)24-14)19-15(21)12-4-2-1-3-5-12/h1-10H,(H,19,21)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181730
PNG
((Z)-5-(4'-Chlorobenzylidene)-2-thioxothiazolidin-4...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(Cl)cc1 |w:7.8,t:1|
Show InChI InChI=1S/C10H6ClNOS2/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181712
PNG
((Z)-5-(4'-Chlorobenzylidene)-3-methyl-2-thioxothia...)
Show SMILES CN1C(=S)S\C(=C/c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C11H8ClNOS2/c1-13-10(14)9(16-11(13)15)6-7-2-4-8(12)5-3-7/h2-6H,1H3/b9-6-
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181729
PNG
(5-(benzylidene)-3-(benzenesulfonylamino)-4-oxo-2-t...)
Show SMILES O=C1N(NS(=O)(=O)c2ccccc2)C(=S)SC1=Cc1ccccc1 |w:17.19|
Show InChI InChI=1S/C16H12N2O3S3/c19-15-14(11-12-7-3-1-4-8-12)23-16(22)18(15)17-24(20,21)13-9-5-2-6-10-13/h1-11,17H
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n/an/a 3.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181716
PNG
(5-(4-methylbenzylidene)-3-amino-4-oxo-2-thionothia...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(N)C2=O)cc1
Show InChI InChI=1S/C11H10N2OS2/c1-7-2-4-8(5-3-7)6-9-10(14)13(12)11(15)16-9/h2-6H,12H2,1H3/b9-6-
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181703
PNG
((Z)-3-Amino-5-benzylidene-2-thioxothiazolidin-4-on...)
Show SMILES NN1C(=S)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C10H8N2OS2/c11-12-9(13)8(15-10(12)14)6-7-4-2-1-3-5-7/h1-6H,11H2/b8-6-
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181724
PNG
(5-(4-dimethylaminobenzylidene)-3-amino-4-oxo-2-thi...)
Show SMILES CN(C)c1ccc(\C=C2/SC(=S)N(N)C2=O)cc1
Show InChI InChI=1S/C12H13N3OS2/c1-14(2)9-5-3-8(4-6-9)7-10-11(16)15(13)12(17)18-10/h3-7H,13H2,1-2H3/b10-7-
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5b RNA polymerase


J Med Chem 49: 1034-46 (2006)


Article DOI: 10.1021/jm050859x
BindingDB Entry DOI: 10.7270/Q2CJ8D3W
More data for this
Ligand-Target Pair
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