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Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'bilimoria' and Initial = 'd'   
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
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139666
PNG
(5-(4-Acetyl-phenyl)-3-(2,4-dimethyl-benzenesulfony...)
Show SMILES CC(=O)c1ccc(cc1)-c1cc(NS(=O)(=O)c2ccc(C)cc2C)c(s1)C(O)=O
Show InChI InChI=1S/C21H19NO5S2/c1-12-4-9-19(13(2)10-12)29(26,27)22-17-11-18(28-20(17)21(24)25)16-7-5-15(6-8-16)14(3)23/h4-11,22H,1-3H3,(H,24,25)
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n/an/a 390n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase

Bioorg Med Chem Lett 14: 793-6 (2004)


BindingDB Entry DOI: 10.7270/Q2PV6JSN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126676
PNG
(2-[4-(4'-Chloro-4-methoxy-biphenyl-2-ylmethoxy)-ph...)
Show SMILES COc1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C34H31ClN2O4/c1-40-29-16-17-30(22-7-12-26(35)13-8-22)25(19-29)21-41-28-14-9-23(10-15-28)33-36-31-20-24(34(38)39)11-18-32(31)37(33)27-5-3-2-4-6-27/h7-20,27H,2-6,21H2,1H3,(H,38,39)
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n/an/a 620n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126679
PNG
((S)-2-(2,4-dichloro-N-(3-nitrobenzyl)benzamido)-3-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(c1)[N+]([O-])=O)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C23H18Cl2N2O5/c24-17-9-10-19(20(25)13-17)22(28)26(14-16-7-4-8-18(11-16)27(31)32)21(23(29)30)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,29,30)/t21-/m0/s1
PDB

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n/an/a 700n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139669
PNG
(3-(4-Chloro-2-methyl-benzenesulfonylamino)-5-pheny...)
Show SMILES Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C18H14ClNO4S2/c1-11-9-13(19)7-8-16(11)26(23,24)20-14-10-15(25-17(14)18(21)22)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,21,22)
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n/an/a 750n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase

Bioorg Med Chem Lett 14: 793-6 (2004)


BindingDB Entry DOI: 10.7270/Q2PV6JSN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126666
PNG
(2-[(3-Cyano-benzyl)-(2,4-dichloro-benzoyl)-amino]-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(c1)C#N)C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H18Cl2N2O3/c25-19-9-10-20(21(26)13-19)23(29)28(15-18-8-4-7-17(11-18)14-27)22(24(30)31)12-16-5-2-1-3-6-16/h1-11,13,22H,12,15H2,(H,30,31)
PDB

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n/an/a 800n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139657
PNG
(3-(2,4-Dimethyl-benzenesulfonylamino)-5-phenyl-thi...)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)Nc1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C19H17NO4S2/c1-12-8-9-17(13(2)10-12)26(23,24)20-15-11-16(25-18(15)19(21)22)14-6-4-3-5-7-14/h3-11,20H,1-2H3,(H,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase

Bioorg Med Chem Lett 14: 793-6 (2004)


BindingDB Entry DOI: 10.7270/Q2PV6JSN
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139657
PNG
(3-(2,4-Dimethyl-benzenesulfonylamino)-5-phenyl-thi...)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)Nc1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C19H17NO4S2/c1-12-8-9-17(13(2)10-12)26(23,24)20-15-11-16(25-18(15)19(21)22)14-6-4-3-5-7-14/h3-11,20H,1-2H3,(H,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Shire BioChem Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Hepatitis C polymerase.

Bioorg Med Chem Lett 14: 797-800 (2004)


BindingDB Entry DOI: 10.7270/Q2K35T2N
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139683
PNG
(3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)AMINO]-5-PHENYL...)
Show SMILES CC(C)N(C(=O)c1ccc(Cl)cc1Cl)c1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C21H17Cl2NO3S/c1-12(2)24(20(25)15-9-8-14(22)10-16(15)23)17-11-18(28-19(17)21(26)27)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,26,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Shire BioChem Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Hepatitis C polymerase.

Bioorg Med Chem Lett 14: 797-800 (2004)


BindingDB Entry DOI: 10.7270/Q2K35T2N
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139682
PNG
(3-[(4-Chloro-benzoyl)-methyl-amino]-5-phenyl-thiop...)
Show SMILES CN(C(=O)c1ccc(Cl)cc1)c1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C19H14ClNO3S/c1-21(18(22)13-7-9-14(20)10-8-13)15-11-16(25-17(15)19(23)24)12-5-3-2-4-6-12/h2-11H,1H3,(H,23,24)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Shire BioChem Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Hepatitis C polymerase.

Bioorg Med Chem Lett 14: 797-800 (2004)


BindingDB Entry DOI: 10.7270/Q2K35T2N
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126663
PNG
((S)-2-(2,4-dichloro-N-(3-chlorobenzyl)benzamido)-3...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C23H18Cl3NO3/c24-17-8-4-7-16(11-17)14-27(22(28)19-10-9-18(25)13-20(19)26)21(23(29)30)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,29,30)/t21-/m0/s1
PDB

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n/an/a 1.40E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139676
PNG
(3-[(2,4-Dimethyl-benzoyl)-methyl-amino]-5-phenyl-t...)
Show SMILES CN(C(=O)c1ccc(C)cc1C)c1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C21H19NO3S/c1-13-9-10-16(14(2)11-13)20(23)22(3)17-12-18(26-19(17)21(24)25)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,24,25)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Shire BioChem Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Hepatitis C polymerase.

Bioorg Med Chem Lett 14: 797-800 (2004)


BindingDB Entry DOI: 10.7270/Q2K35T2N
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139659
PNG
(5-(4-Acetyl-phenyl)-3-(toluene-2-sulfonylamino)-th...)
Show SMILES CC(=O)c1ccc(cc1)-c1cc(NS(=O)(=O)c2ccccc2C)c(s1)C(O)=O
Show InChI InChI=1S/C20H17NO5S2/c1-12-5-3-4-6-18(12)28(25,26)21-16-11-17(27-19(16)20(23)24)15-9-7-14(8-10-15)13(2)22/h3-11,21H,1-2H3,(H,23,24)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase

Bioorg Med Chem Lett 14: 793-6 (2004)


BindingDB Entry DOI: 10.7270/Q2PV6JSN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126661
PNG
((2S)-2-[(2,4-DICHLORO-BENZOYL)-(3-TRIFLUOROMETHYL-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(c1)C(F)(F)F)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C24H18Cl2F3NO3/c25-18-9-10-19(20(26)13-18)22(31)30(14-16-7-4-8-17(11-16)24(27,28)29)21(23(32)33)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,32,33)/t21-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139673
PNG
(2-[(2,4-Dichloro-benzoyl)-(3-trifluoromethyl-benzy...)
Show SMILES OC(=O)C(Cc1ccccc1)N(Cc1cccc(c1)C(F)(F)F)C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H18Cl2F3NO3/c25-18-9-10-19(20(26)13-18)22(31)30(14-16-7-4-8-17(11-16)24(27,28)29)21(23(32)33)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,32,33)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase

Bioorg Med Chem Lett 14: 793-6 (2004)


BindingDB Entry DOI: 10.7270/Q2PV6JSN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126668
PNG
((S)-2-(2,4-dichloro-N-(3-methylbenzyl)benzamido)-3...)
Show SMILES Cc1cccc(CN([C@@H](Cc2ccccc2)C(O)=O)C(=O)c2ccc(Cl)cc2Cl)c1 |r|
Show InChI InChI=1S/C24H21Cl2NO3/c1-16-6-5-9-18(12-16)15-27(23(28)20-11-10-19(25)14-21(20)26)22(24(29)30)13-17-7-3-2-4-8-17/h2-12,14,22H,13,15H2,1H3,(H,29,30)/t22-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139658
PNG
(5-(4-Methanesulfonyl-phenyl)-3-(toluene-2-sulfonyl...)
Show SMILES Cc1ccccc1S(=O)(=O)Nc1cc(sc1C(O)=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H17NO6S3/c1-12-5-3-4-6-17(12)29(25,26)20-15-11-16(27-18(15)19(21)22)13-7-9-14(10-8-13)28(2,23)24/h3-11,20H,1-2H3,(H,21,22)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase

Bioorg Med Chem Lett 14: 793-6 (2004)


BindingDB Entry DOI: 10.7270/Q2PV6JSN
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139681
PNG
(3-[Ethyl-(4-methyl-benzoyl)-amino]-5-phenyl-thioph...)
Show SMILES CCN(C(=O)c1ccc(C)cc1)c1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C21H19NO3S/c1-3-22(20(23)16-11-9-14(2)10-12-16)17-13-18(26-19(17)21(24)25)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,24,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Shire BioChem Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Hepatitis C polymerase.

Bioorg Med Chem Lett 14: 797-800 (2004)


BindingDB Entry DOI: 10.7270/Q2K35T2N
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139675
PNG
(3-[Methyl-(4-methyl-benzoyl)-amino]-5-phenyl-thiop...)
Show SMILES CN(C(=O)c1ccc(C)cc1)c1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C20H17NO3S/c1-13-8-10-15(11-9-13)19(22)21(2)16-12-17(25-18(16)20(23)24)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,23,24)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Shire BioChem Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Hepatitis C polymerase.

Bioorg Med Chem Lett 14: 797-800 (2004)


BindingDB Entry DOI: 10.7270/Q2K35T2N
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126675
PNG
(2-[(2,4-Dichloro-benzoyl)-(1-oxy-pyridin-3-ylmethy...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1ccc[n+]([O-])c1)C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18Cl2N2O4/c23-17-8-9-18(19(24)12-17)21(27)26(14-16-7-4-10-25(30)13-16)20(22(28)29)11-15-5-2-1-3-6-15/h1-10,12-13,20H,11,14H2,(H,28,29)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50132832
PNG
((S)-2-[(3-Bromo-benzyl)-(4-chloro-2-iodo-benzoyl)-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1I
Show InChI InChI=1S/C23H18BrClINO3/c24-17-8-4-7-16(11-17)14-27(22(28)19-10-9-18(25)13-20(19)26)21(23(29)30)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,29,30)/t21-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B activity.

Bioorg Med Chem Lett 13: 3341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W6P
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139688
PNG
(3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthioph...)
Show SMILES CC(C)N(C(=O)c1ccc(C)cc1)c1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C22H21NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,25,26)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Shire BioChem Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Hepatitis C polymerase.

Bioorg Med Chem Lett 14: 797-800 (2004)


BindingDB Entry DOI: 10.7270/Q2K35T2N
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126671
PNG
(2-[(5-Bromo-thiophen-2-ylmethyl)-(2,4-dichloro-ben...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)s1)C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H16BrCl2NO3S/c22-19-9-7-15(29-19)12-25(20(26)16-8-6-14(23)11-17(16)24)18(21(27)28)10-13-4-2-1-3-5-13/h1-9,11,18H,10,12H2,(H,27,28)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126673
PNG
((S)-2-(2,4-dichloro-N-(3-fluorobenzyl)benzamido)-3...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(F)c1)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C23H18Cl2FNO3/c24-17-9-10-19(20(25)13-17)22(28)27(14-16-7-4-8-18(26)11-16)21(23(29)30)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,29,30)/t21-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126667
PNG
((S)-2-(N-(3-bromobenzyl)-2,4-dichlorobenzamido)-3-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C23H18BrCl2NO3/c24-17-8-4-7-16(11-17)14-27(22(28)19-10-9-18(25)13-20(19)26)21(23(29)30)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,29,30)/t21-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50126667
PNG
((S)-2-(N-(3-bromobenzyl)-2,4-dichlorobenzamido)-3-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C23H18BrCl2NO3/c24-17-8-4-7-16(11-17)14-27(22(28)19-10-9-18(25)13-20(19)26)21(23(29)30)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,29,30)/t21-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B activity.

Bioorg Med Chem Lett 13: 3341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W6P
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50132822
PNG
((S)-2-[(3-Bromo-benzyl)-(4-chloro-2-methyl-benzoyl...)
Show SMILES Cc1cc(Cl)ccc1C(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21BrClNO3/c1-16-12-20(26)10-11-21(16)23(28)27(15-18-8-5-9-19(25)13-18)22(24(29)30)14-17-6-3-2-4-7-17/h2-13,22H,14-15H2,1H3,(H,29,30)/t22-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B activity.

Bioorg Med Chem Lett 13: 3341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W6P
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50153760
PNG
(5-(4-Fluoro-phenyl)-3-(pyridine-2-sulfonylamino)-t...)
Show SMILES OC(=O)c1sc(cc1NS(=O)(=O)c1ccccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C16H11FN2O4S2/c17-11-6-4-10(5-7-11)13-9-12(15(24-13)16(20)21)19-25(22,23)14-3-1-2-8-18-14/h1-9,19H,(H,20,21)
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n/an/a 4.00E+3n/an/an/an/an/an/a



ViroChem Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration for NS5B RNA-dependent RNA polymerase of Hepatitis C virus

Bioorg Med Chem Lett 14: 5333-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.018
BindingDB Entry DOI: 10.7270/Q2X929RF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50153761
PNG
(5-Pyridin-4-yl-3-(toluene-2-sulfonylamino)-thiophe...)
Show SMILES Cc1ccccc1S(=O)(=O)Nc1cc(sc1C(O)=O)-c1ccncc1
Show InChI InChI=1S/C17H14N2O4S2/c1-11-4-2-3-5-15(11)25(22,23)19-13-10-14(24-16(13)17(20)21)12-6-8-18-9-7-12/h2-10,19H,1H3,(H,20,21)
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n/an/a 4.00E+3n/an/an/an/an/an/a



ViroChem Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration for NS5B RNA-dependent RNA polymerase of Hepatitis C virus

Bioorg Med Chem Lett 14: 5333-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.018
BindingDB Entry DOI: 10.7270/Q2X929RF
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139656
PNG
(3-(4-Chloro-benzenesulfonylamino)-5-phenyl-thiophe...)
Show SMILES OC(=O)c1sc(cc1NS(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C17H12ClNO4S2/c18-12-6-8-13(9-7-12)25(22,23)19-14-10-15(24-16(14)17(20)21)11-4-2-1-3-5-11/h1-10,19H,(H,20,21)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase

Bioorg Med Chem Lett 14: 793-6 (2004)


BindingDB Entry DOI: 10.7270/Q2PV6JSN
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139672
PNG
(5-Phenyl-3-(toluene-4-sulfonylamino)-thiophene-2-c...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C18H15NO4S2/c1-12-7-9-14(10-8-12)25(22,23)19-15-11-16(24-17(15)18(20)21)13-5-3-2-4-6-13/h2-11,19H,1H3,(H,20,21)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase

Bioorg Med Chem Lett 14: 793-6 (2004)


BindingDB Entry DOI: 10.7270/Q2PV6JSN
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139684
PNG
(3-[(2,4-Dimethyl-benzenesulfonyl)-methyl-amino]-5-...)
Show SMILES CN(c1cc(sc1C(O)=O)-c1ccccc1)S(=O)(=O)c1ccc(C)cc1C
Show InChI InChI=1S/C20H19NO4S2/c1-13-9-10-18(14(2)11-13)27(24,25)21(3)16-12-17(26-19(16)20(22)23)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,22,23)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Shire BioChem Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Hepatitis C polymerase.

Bioorg Med Chem Lett 14: 797-800 (2004)


BindingDB Entry DOI: 10.7270/Q2K35T2N
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50132829
PNG
((S)-2-[(3-Bromo-benzyl)-(2-bromo-4-chloro-benzoyl)...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1Br
Show InChI InChI=1S/C23H18Br2ClNO3/c24-17-8-4-7-16(11-17)14-27(22(28)19-10-9-18(26)13-20(19)25)21(23(29)30)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,29,30)/t21-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B activity.

Bioorg Med Chem Lett 13: 3341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W6P
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50139663
PNG
(3-(4-Chloro-2,5-dimethyl-benzenesulfonylamino)-5-p...)
Show SMILES Cc1cc(c(C)cc1Cl)S(=O)(=O)Nc1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C19H16ClNO4S2/c1-11-9-17(12(2)8-14(11)20)27(24,25)21-15-10-16(26-18(15)19(22)23)13-6-4-3-5-7-13/h3-10,21H,1-2H3,(H,22,23)
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n/an/a 5.00E+3n/an/an/an/an/an/a



ViroChem Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration for NS5B RNA-dependent RNA polymerase of Hepatitis C virus

Bioorg Med Chem Lett 14: 5333-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.018
BindingDB Entry DOI: 10.7270/Q2X929RF
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139661
PNG
(5-Phenyl-3-(toluene-2-sulfonylamino)-thiophene-2-c...)
Show SMILES Cc1ccccc1S(=O)(=O)Nc1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C18H15NO4S2/c1-12-7-5-6-10-16(12)25(22,23)19-14-11-15(24-17(14)18(20)21)13-8-3-2-4-9-13/h2-11,19H,1H3,(H,20,21)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase

Bioorg Med Chem Lett 14: 793-6 (2004)


BindingDB Entry DOI: 10.7270/Q2PV6JSN
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139663
PNG
(3-(4-Chloro-2,5-dimethyl-benzenesulfonylamino)-5-p...)
Show SMILES Cc1cc(c(C)cc1Cl)S(=O)(=O)Nc1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C19H16ClNO4S2/c1-11-9-17(12(2)8-14(11)20)27(24,25)21-15-10-16(26-18(15)19(22)23)13-6-4-3-5-7-13/h3-10,21H,1-2H3,(H,22,23)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase

Bioorg Med Chem Lett 14: 793-6 (2004)


BindingDB Entry DOI: 10.7270/Q2PV6JSN
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50132831
PNG
((S)-2-[(3-Bromo-benzyl)-(4-chloro-2-ethyl-benzoyl)...)
Show SMILES CCc1cc(Cl)ccc1C(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H23BrClNO3/c1-2-19-15-21(27)11-12-22(19)24(29)28(16-18-9-6-10-20(26)13-18)23(25(30)31)14-17-7-4-3-5-8-17/h3-13,15,23H,2,14,16H2,1H3,(H,30,31)/t23-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B activity.

Bioorg Med Chem Lett 13: 3341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W6P
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126677
PNG
((S)-2-(2,4-dichloro-N-(4-(thiazol-2-yl)benzyl)benz...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(cc1)-c1nccs1)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H20Cl2N2O3S/c27-20-10-11-21(22(28)15-20)25(31)30(23(26(32)33)14-17-4-2-1-3-5-17)16-18-6-8-19(9-7-18)24-29-12-13-34-24/h1-13,15,23H,14,16H2,(H,32,33)/t23-/m0/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50132821
PNG
((S)-2-[(3-Bromo-benzyl)-(2,4-dimethyl-benzoyl)-ami...)
Show SMILES Cc1ccc(C(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(O)=O)c(C)c1
Show InChI InChI=1S/C25H24BrNO3/c1-17-11-12-22(18(2)13-17)24(28)27(16-20-9-6-10-21(26)14-20)23(25(29)30)15-19-7-4-3-5-8-19/h3-14,23H,15-16H2,1-2H3,(H,29,30)/t23-/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B activity.

Bioorg Med Chem Lett 13: 3341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W6P
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126680
PNG
((S)-2-(2,4-dichloro-N-(2-cyanobenzyl)benzamido)-3-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C#N)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C24H18Cl2N2O3/c25-19-10-11-20(21(26)13-19)23(29)28(15-18-9-5-4-8-17(18)14-27)22(24(30)31)12-16-6-2-1-3-7-16/h1-11,13,22H,12,15H2,(H,30,31)/t22-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139662
PNG
(5-Phenyl-3-(toluene-3-sulfonylamino)-thiophene-2-c...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C18H15NO4S2/c1-12-6-5-9-14(10-12)25(22,23)19-15-11-16(24-17(15)18(20)21)13-7-3-2-4-8-13/h2-11,19H,1H3,(H,20,21)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase

Bioorg Med Chem Lett 14: 793-6 (2004)


BindingDB Entry DOI: 10.7270/Q2PV6JSN
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126674
PNG
((S)-2-(2,4-dichloro-N-(4-cyanobenzyl)benzamido)-3-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(cc1)C#N)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C24H18Cl2N2O3/c25-19-10-11-20(21(26)13-19)23(29)28(15-18-8-6-17(14-27)7-9-18)22(24(30)31)12-16-4-2-1-3-5-16/h1-11,13,22H,12,15H2,(H,30,31)/t22-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126670
PNG
(2-[(2-Bromo-benzyl)-(2,4-dichloro-benzoyl)-amino]-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Br)C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H18BrCl2NO3/c24-19-9-5-4-8-16(19)14-27(22(28)18-11-10-17(25)13-20(18)26)21(23(29)30)12-15-6-2-1-3-7-15/h1-11,13,21H,12,14H2,(H,29,30)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126678
PNG
(2-[Benzyl-(2,4-dichloro-benzoyl)-amino]-3-phenyl-p...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H19Cl2NO3/c24-18-11-12-19(20(25)14-18)22(27)26(15-17-9-5-2-6-10-17)21(23(28)29)13-16-7-3-1-4-8-16/h1-12,14,21H,13,15H2,(H,28,29)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126669
PNG
((2S)-2-[(5-BENZOFURAN-2-YL-THIOPHEN-2-YLMETHYL)-(2...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(s1)-c1cc2ccccc2o1)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C29H21Cl2NO4S/c30-20-10-12-22(23(31)16-20)28(33)32(24(29(34)35)14-18-6-2-1-3-7-18)17-21-11-13-27(37-21)26-15-19-8-4-5-9-25(19)36-26/h1-13,15-16,24H,14,17H2,(H,34,35)/t24-/m0/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126659
PNG
(2-[(3-Bromo-benzyl)-(2,4-dichloro-benzoyl)-amino]-...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H18BrCl2NO3/c24-17-8-4-7-16(11-17)14-27(22(28)19-10-9-18(25)13-20(19)26)21(23(29)30)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,29,30)/t21-/m1/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50139686
PNG
(3-(Cyclohexanecarbonyl-isopropyl-amino)-5-phenyl-t...)
Show SMILES CC(C)N(C(=O)C1CCCCC1)c1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C21H25NO3S/c1-14(2)22(20(23)16-11-7-4-8-12-16)17-13-18(26-19(17)21(24)25)15-9-5-3-6-10-15/h3,5-6,9-10,13-14,16H,4,7-8,11-12H2,1-2H3,(H,24,25)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Shire BioChem Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Hepatitis C polymerase.

Bioorg Med Chem Lett 14: 797-800 (2004)


BindingDB Entry DOI: 10.7270/Q2K35T2N
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126665
PNG
(2-[(4-Bromo-benzyl)-(2,4-dichloro-benzoyl)-amino]-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H18BrCl2NO3/c24-17-8-6-16(7-9-17)14-27(22(28)19-11-10-18(25)13-20(19)26)21(23(29)30)12-15-4-2-1-3-5-15/h1-11,13,21H,12,14H2,(H,29,30)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50126672
PNG
((S)-2-[(3-Bromo-benzyl)-(4-chloro-benzoyl)-amino]-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19BrClNO3/c24-19-8-4-7-17(13-19)15-26(22(27)18-9-11-20(25)12-10-18)21(23(28)29)14-16-5-2-1-3-6-16/h1-13,21H,14-15H2,(H,28,29)
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n/an/a 1.06E+4n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B activity.

Bioorg Med Chem Lett 13: 3341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W6P
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50132823
PNG
((S)-2-[(3-Bromo-benzyl)-(2,4-dimethoxy-benzoyl)-am...)
Show SMILES COc1ccc(C(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(O)=O)c(OC)c1
Show InChI InChI=1S/C25H24BrNO5/c1-31-20-11-12-21(23(15-20)32-2)24(28)27(16-18-9-6-10-19(26)13-18)22(25(29)30)14-17-7-4-3-5-8-17/h3-13,15,22H,14,16H2,1-2H3,(H,29,30)/t22-/m0/s1
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n/an/a 1.07E+4n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B activity.

Bioorg Med Chem Lett 13: 3341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W6P
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50126660
PNG
((S)-2-(2,4-dichloro-N-(pyridin-3-ylmethyl)benzamid...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccnc1)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C22H18Cl2N2O3/c23-17-8-9-18(19(24)12-17)21(27)26(14-16-7-4-10-25-13-16)20(22(28)29)11-15-5-2-1-3-6-15/h1-10,12-13,20H,11,14H2,(H,28,29)/t20-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected S...

J Med Chem 46: 1283-5 (2003)


Article DOI: 10.1021/jm0340400
BindingDB Entry DOI: 10.7270/Q2XP74BP
More data for this
Ligand-Target Pair
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