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PubMed code 12951122

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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))		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))		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
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
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
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
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
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM50132837
PNG
((S)-2-[(3-Bromo-benzyl)-(4-chloro-2-methoxy-benzoy...)
Show SMILES COc1cc(Cl)ccc1C(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21BrClNO4/c1-31-22-14-19(26)10-11-20(22)23(28)27(15-17-8-5-9-18(25)12-17)21(24(29)30)13-16-6-3-2-4-7-16/h2-12,14,21H,13,15H2,1H3,(H,29,30)/t21-/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
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))		BDBM50132825
PNG
((S)-2-[(3-Bromo-benzyl)-(2,4,6-trichloro-benzoyl)-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C23H17BrCl3NO3/c24-16-8-4-7-15(9-16)13-28(20(23(30)31)10-14-5-2-1-3-6-14)22(29)21-18(26)11-17(25)12-19(21)27/h1-9,11-12,20H,10,13H2,(H,30,31)/t20-/m0/s1
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n/an/a 1.30E+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))		BDBM50132835
PNG
((S)-2-[(3-Bromo-benzyl)-(2,4-dichloro-phenyl)-amin...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18BrCl2NO2/c23-17-8-4-7-16(11-17)14-26(20-10-9-18(24)13-19(20)25)21(22(27)28)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,27,28)/t21-/m0/s1
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n/an/a 1.50E+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))		BDBM50132830
PNG
((S)-2-[(3-Bromo-benzyl)-(2,4-dichloro-benzyl)-amin...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H20BrCl2NO2/c24-19-8-4-7-17(11-19)14-27(15-18-9-10-20(25)13-21(18)26)22(23(28)29)12-16-5-2-1-3-6-16/h1-11,13,22H,12,14-15H2,(H,28,29)/t22-/m0/s1
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n/an/a 2.60E+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))		BDBM50132833
PNG
((S)-2-[(3-Bromo-benzyl)-(3,4-dichloro-benzoyl)-ami...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H18BrCl2NO3/c24-18-8-4-7-16(11-18)14-27(22(28)17-9-10-19(25)20(26)13-17)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 3.00E+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))		BDBM50132834
PNG
((S)-2-[(3-Bromo-benzyl)-(3-chloro-benzoyl)-amino]-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H19BrClNO3/c24-19-10-4-8-17(12-19)15-26(22(27)18-9-5-11-20(25)14-18)21(23(28)29)13-16-6-2-1-3-7-16/h1-12,14,21H,13,15H2,(H,28,29)/t21-/m0/s1
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n/an/a 3.00E+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))		BDBM50132827
PNG
((S)-2-[1-(3-Bromo-benzyl)-3-(2,4-dichloro-phenyl)-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Nc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H19BrCl2N2O3/c24-17-8-4-7-16(11-17)14-28(21(22(29)30)12-15-5-2-1-3-6-15)23(31)27-20-10-9-18(25)13-19(20)26/h1-11,13,21H,12,14H2,(H,27,31)(H,29,30)/t21-/m0/s1
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n/an/a 3.10E+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))		BDBM50126664
PNG
((S)-2-[(3-Bromo-benzyl)-(2-chloro-benzoyl)-amino]-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C23H19BrClNO3/c24-18-10-6-9-17(13-18)15-26(22(27)19-11-4-5-12-20(19)25)21(23(28)29)14-16-7-2-1-3-8-16/h1-13,21H,14-15H2,(H,28,29)
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n/an/a 3.10E+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))		BDBM50132836
PNG
((S)-2-[(3-Bromo-benzyl)-(2,6-dichloro-pyridine-3-c...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)nc1Cl
Show InChI InChI=1S/C22H17BrCl2N2O3/c23-16-8-4-7-15(11-16)13-27(21(28)17-9-10-19(24)26-20(17)25)18(22(29)30)12-14-5-2-1-3-6-14/h1-11,18H,12-13H2,(H,29,30)/t18-/m0/s1
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n/an/a 3.10E+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))		BDBM50132824
PNG
((S)-2-[(3-Bromo-benzyl)-(2,4-dichloro-benzenesulfo...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18BrCl2NO4S/c23-17-8-4-7-16(11-17)14-26(20(22(27)28)12-15-5-2-1-3-6-15)31(29,30)21-10-9-18(24)13-19(21)25/h1-11,13,20H,12,14H2,(H,27,28)/t20-/m0/s1
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n/an/a 3.10E+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))		BDBM50132828
PNG
((S)-2-[(3-Bromo-benzyl)-(2,4-difluoro-benzoyl)-ami...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C23H18BrF2NO3/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 4.30E+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))		BDBM50132826
PNG
((S)-2-[Benzoyl-(3-bromo-benzyl)-amino]-3-phenyl-pr...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H20BrNO3/c24-20-13-7-10-18(14-20)16-25(22(26)19-11-5-2-6-12-19)21(23(27)28)15-17-8-3-1-4-9-17/h1-14,21H,15-16H2,(H,27,28)/t21-/m0/s1
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PubMed
n/an/a>5.00E+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
* indicates data uncertainty>20%