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Patent code US9408863

Compile Data Set for Download or QSAR
Found 13 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
RNA polymerase (NS5B)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM239048
PNG
(US9408863, 4)
Show SMILES CCCCOC(=O)[C@H](C)NP(=O)(O[C@H](C)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc12
Show InChI InChI=1S/C28H36N3O10P/c1-5-6-16-38-25(34)17(2)30-42(37,41-21-13-9-11-19-10-7-8-12-20(19)21)40-18(3)23-24(33)28(4,36)26(39-23)31-15-14-22(32)29-27(31)35/h7-15,17-18,23-24,26,33,36H,5-6,16H2,1-4H3,(H,30,37)(H,29,32,35)/t17-,18+,23+,24+,26+,28+,42?/m0/s1
PDB

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UniChem
US Patent
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM239053
PNG
(US9408863, 9)
Show SMILES C[C@@H](O)[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C12H17N5O5/c1-4(18)6-7(19)12(2,21)10(22-6)17-3-14-5-8(17)15-11(13)16-9(5)20/h3-4,6-7,10,18-19,21H,1-2H3,(H3,13,15,16,20)/t4-,6-,7-,10-,12-/m1/s1
PDB

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UniChem
US Patent
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM239057
PNG
(US9408863, 13)
Show SMILES CC(O)[C@@H]1O[C@H](n2cnc3c2nc(N)nc3=O)[C@](C)(F)[C@H]1O
PDB

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UniChem
US Patent
n/an/an/an/a 3.50E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM239045
PNG
(US9408863, 1)
Show SMILES C[C@@H](O)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C11H17N3O5/c1-5(15)7-8(16)11(2,18)9(19-7)14-4-3-6(12)13-10(14)17/h3-5,7-9,15-16,18H,1-2H3,(H2,12,13,17)/t5-,7-,8-,9-,11-/m1/s1
PDB

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PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM239050
PNG
(US9408863, 6)
Show SMILES CCCCOC(=O)[C@H](C)NP(=O)(O[C@@H](C)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc12
Show InChI InChI=1S/C28H37N4O9P/c1-5-6-16-38-25(34)17(2)31-42(37,41-21-13-9-11-19-10-7-8-12-20(19)21)40-18(3)23-24(33)28(4,36)26(39-23)32-15-14-22(29)30-27(32)35/h7-15,17-18,23-24,26,33,36H,5-6,16H2,1-4H3,(H,31,37)(H2,29,30,35)/t17-,18-,23+,24+,26+,28+,42?/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM239056
PNG
(US9408863, 12)
Show SMILES CC(O)[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)nc(NC(=O)c4ccccc4)nc23)[C@](C)(F)[C@@H]1O
Show InChI InChI=1S/C26H26FN5O5/c1-15(33)19-20(34)26(2,27)24(37-19)32-14-28-18-21(32)29-25(30-22(35)17-11-7-4-8-12-17)31-23(18)36-13-16-9-5-3-6-10-16/h3-12,14-15,19-20,24,33-34H,13H2,1-2H3,(H,29,30,31,35)/t15?,19-,20-,24-,26-/m1/s1
PDB

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US Patent
n/an/an/an/a 1.40E+4n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM239051
PNG
(US9408863, 7)
Show SMILES CC(O)[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)[C@](C)(F)[C@@H]1O
Show InChI InChI=1S/C18H20FN3O5/c1-10(23)13-14(24)18(2,19)16(27-13)22-9-8-12(21-17(22)26)20-15(25)11-6-4-3-5-7-11/h3-10,13-14,16,23-24H,1-2H3,(H,20,21,25,26)/t10?,13-,14-,16-,18-/m1/s1
PDB

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PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM239049
PNG
(US9408863, 5)
Show SMILES C[C@H](O)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C11H17N3O5/c1-5(15)7-8(16)11(2,18)9(19-7)14-4-3-6(12)13-10(14)17/h3-5,7-9,15-16,18H,1-2H3,(H2,12,13,17)/t5-,7+,8+,9+,11+/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM239046
PNG
(US9408863, 2)
Show SMILES CCCCOC(=O)[C@H](C)NP(=O)(O[C@H](C)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc12
Show InChI InChI=1S/C28H37N4O9P/c1-5-6-16-38-25(34)17(2)31-42(37,41-21-13-9-11-19-10-7-8-12-20(19)21)40-18(3)23-24(33)28(4,36)26(39-23)32-15-14-22(29)30-27(32)35/h7-15,17-18,23-24,26,33,36H,5-6,16H2,1-4H3,(H,31,37)(H2,29,30,35)/t17-,18+,23+,24+,26+,28+,42?/m0/s1
PDB

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.00E+4n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM239054
PNG
(US9408863, 10)
Show SMILES CCCCOC(=O)[C@H](C)NP(=O)(O[C@H](C)[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc12
Show InChI InChI=1S/C29H37N6O9P/c1-5-6-14-41-26(38)16(2)34-45(40,44-20-13-9-11-18-10-7-8-12-19(18)20)43-17(3)22-23(36)29(4,39)27(42-22)35-15-31-21-24(35)32-28(30)33-25(21)37/h7-13,15-17,22-23,27,36,39H,5-6,14H2,1-4H3,(H,34,40)(H3,30,32,33,37)/t16-,17+,22+,23+,27+,29+,45?/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM239052
PNG
(US9408863, 8)
Show SMILES CC(O)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1O
Show InChI InChI=1S/C11H16FN3O4/c1-5(16)7-8(17)11(2,12)9(19-7)15-4-3-6(13)14-10(15)18/h3-5,7-9,16-17H,1-2H3,(H2,13,14,18)/t5?,7-,8-,9-,11-/m1/s1
PDB

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US Patent
n/an/an/an/a 3.80E+4n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM239055
PNG
(US9408863, 11)
Show SMILES C[C@H](O)[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C12H17N5O5/c1-4(18)6-7(19)12(2,21)10(22-6)17-3-14-5-8(17)15-11(13)16-9(5)20/h3-4,6-7,10,18-19,21H,1-2H3,(H3,13,15,16,20)/t4-,6+,7+,10+,12+/m0/s1
PDB

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


Citation and Details
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM239047
PNG
(US9408863, 3)
Show SMILES C[C@@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C11H16N2O6/c1-5(14)7-8(16)11(2,18)9(19-7)13-4-3-6(15)12-10(13)17/h3-5,7-9,14,16,18H,1-2H3,(H,12,15,17)/t5-,7-,8-,9-,11-/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%