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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'NS5B'   
Target
(Institution)
LigandTarget
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
NS5B


(Hepatitis C virus)
BDBM50183494
PNG
(2-[3-({[(2,6-dichlorobenzyl)oxy]carbonyl}amino)-2-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C17H11Cl2N3O6S/c18-8-2-1-3-9(19)7(8)6-28-17(27)20-10-4-5-29-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-5,23H,6H2,(H,20,27)(H,25,26)(H,21,22,24)
UniProtKB/TrEMBL

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n/an/a 174n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Displacement of 50 uM PPi from NS5B in Hepatitis C virus


Antimicrob Agents Chemother 54: 977-83 (2010)

More data for this
Ligand-Target Pair
NS5B


(Hepatitis C virus)
BDBM50183494
PNG
(2-[3-({[(2,6-dichlorobenzyl)oxy]carbonyl}amino)-2-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C17H11Cl2N3O6S/c18-8-2-1-3-9(19)7(8)6-28-17(27)20-10-4-5-29-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-5,23H,6H2,(H,20,27)(H,25,26)(H,21,22,24)
UniProtKB/TrEMBL

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n/an/a 258n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Displacement of 0.1 uM UTP from NS5B in Hepatitis C virus


Antimicrob Agents Chemother 54: 977-83 (2010)

More data for this
Ligand-Target Pair
NS5B


(Hepatitis C virus)
BDBM50183494
PNG
(2-[3-({[(2,6-dichlorobenzyl)oxy]carbonyl}amino)-2-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C17H11Cl2N3O6S/c18-8-2-1-3-9(19)7(8)6-28-17(27)20-10-4-5-29-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-5,23H,6H2,(H,20,27)(H,25,26)(H,21,22,24)
UniProtKB/TrEMBL

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n/an/a 302n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Displacement of 100 uM PPi from NS5B in Hepatitis C virus


Antimicrob Agents Chemother 54: 977-83 (2010)

More data for this
Ligand-Target Pair
NS5B


(Hepatitis C virus)
BDBM50183494
PNG
(2-[3-({[(2,6-dichlorobenzyl)oxy]carbonyl}amino)-2-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C17H11Cl2N3O6S/c18-8-2-1-3-9(19)7(8)6-28-17(27)20-10-4-5-29-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-5,23H,6H2,(H,20,27)(H,25,26)(H,21,22,24)
UniProtKB/TrEMBL

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n/an/a>500n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Displacement of 1 uM UTP from NS5B in Hepatitis C virus


Antimicrob Agents Chemother 54: 977-83 (2010)

More data for this
Ligand-Target Pair
NS5B


(Hepatitis C virus)
BDBM50183494
PNG
(2-[3-({[(2,6-dichlorobenzyl)oxy]carbonyl}amino)-2-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C17H11Cl2N3O6S/c18-8-2-1-3-9(19)7(8)6-28-17(27)20-10-4-5-29-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-5,23H,6H2,(H,20,27)(H,25,26)(H,21,22,24)
UniProtKB/TrEMBL

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n/an/a 730n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of NS5B-mediated RNA synthesis in Hepatitis C virus assessed as decrease in formation of full-length product after 45 mins


Antimicrob Agents Chemother 54: 977-83 (2010)

More data for this
Ligand-Target Pair
NS5B


(Hepatitis C virus)
BDBM50183494
PNG
(2-[3-({[(2,6-dichlorobenzyl)oxy]carbonyl}amino)-2-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C17H11Cl2N3O6S/c18-8-2-1-3-9(19)7(8)6-28-17(27)20-10-4-5-29-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-5,23H,6H2,(H,20,27)(H,25,26)(H,21,22,24)
UniProtKB/TrEMBL

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n/an/a 882n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Displacement of 500 uM PPi from NS5B in Hepatitis C virus


Antimicrob Agents Chemother 54: 977-83 (2010)

More data for this
Ligand-Target Pair
NS5B


(Hepatitis C virus)
BDBM50183494
PNG
(2-[3-({[(2,6-dichlorobenzyl)oxy]carbonyl}amino)-2-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C17H11Cl2N3O6S/c18-8-2-1-3-9(19)7(8)6-28-17(27)20-10-4-5-29-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-5,23H,6H2,(H,20,27)(H,25,26)(H,21,22,24)
UniProtKB/TrEMBL

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n/an/a>1.00E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Displacement of 5 uM UTP from NS5B in Hepatitis C virus


Antimicrob Agents Chemother 54: 977-83 (2010)

More data for this
Ligand-Target Pair
NS5B


(Hepatitis C virus)
BDBM50332459
PNG
(((2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)...)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C11H17FN5O13P3/c1-11(12)6(18)4(2-27-32(23,24)30-33(25,26)29-31(20,21)22)28-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19/h3-4,6,9,18H,2H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t4-,6-,9-,11-/m1/s1
UniProtKB/TrEMBL

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n/an/a 5.94E+3n/an/an/an/an/an/a



Pharmasset, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase


Bioorg Med Chem Lett 20: 7376-80 (2010)

More data for this
Ligand-Target Pair