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Patent code US9365582

Compile Data Set for Download or QSAR
Found 24 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
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM236566
PNG
(US9365582, 7)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc(OC)c(Br)c2n1
Show InChI InChI=1S/C33H41BrN4O8S/c1-4-45-27-17-26(22-12-13-25(44-3)28(34)29(22)35-27)46-20-15-23-24(16-20)31(40)38(2)14-8-6-5-7-9-19-18-33(19,36-30(23)39)32(41)37-47(42,43)21-10-11-21/h7,9,12-13,17,19-21,23-24H,4-6,8,10-11,14-16,18H2,1-3H3,(H,36,39)(H,37,41)/b9-7-/t19-,20-,23-,24-,33-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM236563
PNG
(US9365582, 3)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc(OC)c(C)c2n1
Show InChI InChI=1S/C34H44N4O8S/c1-5-45-29-18-28(24-13-14-27(44-4)20(2)30(24)35-29)46-22-16-25-26(17-22)32(40)38(3)15-9-7-6-8-10-21-19-34(21,36-31(25)39)33(41)37-47(42,43)23-11-12-23/h8,10,13-14,18,21-23,25-26H,5-7,9,11-12,15-17,19H2,1-4H3,(H,36,39)(H,37,41)/b10-8-/t21-,22-,25-,26-,34-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM236565
PNG
(US9365582, 5)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc(OC)cc2n1
Show InChI InChI=1S/C33H42N4O8S/c1-4-44-29-18-28(24-13-10-21(43-3)17-27(24)34-29)45-22-15-25-26(16-22)31(39)37(2)14-8-6-5-7-9-20-19-33(20,35-30(25)38)32(40)36-46(41,42)23-11-12-23/h7,9-10,13,17-18,20,22-23,25-26H,4-6,8,11-12,14-16,19H2,1-3H3,(H,35,38)(H,36,40)/b9-7-/t20-,22-,25-,26-,33-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM236571
PNG
(US9365582, 13)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2cccc(C)c2n1
Show InChI InChI=1S/C33H42N4O7S/c1-4-43-28-18-27(24-12-9-10-20(2)29(24)34-28)44-22-16-25-26(17-22)31(39)37(3)15-8-6-5-7-11-21-19-33(21,35-30(25)38)32(40)36-45(41,42)23-13-14-23/h7,9-12,18,21-23,25-26H,4-6,8,13-17,19H2,1-3H3,(H,35,38)(H,36,40)/b11-7-/t21-,22-,25-,26-,33-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM236573
PNG
(US9365582, 15)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc3OCOc3c2n1
Show InChI InChI=1S/C33H40N4O9S/c1-3-43-27-16-26(22-11-12-25-29(28(22)34-27)45-18-44-25)46-20-14-23-24(15-20)31(39)37(2)13-7-5-4-6-8-19-17-33(19,35-30(23)38)32(40)36-47(41,42)21-9-10-21/h6,8,11-12,16,19-21,23-24H,3-5,7,9-10,13-15,17-18H2,1-2H3,(H,35,38)(H,36,40)/b8-6-/t19-,20-,23-,24-,33-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM236569
PNG
(US9365582, 11)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2cccc(Cl)c2n1
Show InChI InChI=1S/C32H39ClN4O7S/c1-3-43-27-17-26(22-10-8-11-25(33)28(22)34-27)44-20-15-23-24(16-20)30(39)37(2)14-7-5-4-6-9-19-18-32(19,35-29(23)38)31(40)36-45(41,42)21-12-13-21/h6,8-11,17,19-21,23-24H,3-5,7,12-16,18H2,1-2H3,(H,35,38)(H,36,40)/b9-6-/t19-,20-,23-,24-,32-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM236567
PNG
(US9365582, 9)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc3OCCc3c2n1
Show InChI InChI=1S/C34H42N4O8S/c1-3-44-29-18-28(23-11-12-27-24(13-15-45-27)30(23)35-29)46-21-16-25-26(17-21)32(40)38(2)14-7-5-4-6-8-20-19-34(20,36-31(25)39)33(41)37-47(42,43)22-9-10-22/h6,8,11-12,18,20-22,25-26H,3-5,7,9-10,13-17,19H2,1-2H3,(H,36,39)(H,37,41)/b8-6-/t20-,21-,25-,26-,34-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM236568
PNG
(US9365582, 10)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2cccc(Cl)c2n1
Show InChI InChI=1S/C29H34ClN3O6/c1-3-38-24-15-23(19-10-8-11-22(30)25(19)31-24)39-18-13-20-21(14-18)27(35)33(2)12-7-5-4-6-9-17-16-29(17,28(36)37)32-26(20)34/h6,8-11,15,17-18,20-21H,3-5,7,12-14,16H2,1-2H3,(H,32,34)(H,36,37)/b9-6-/t17?,18-,20-,21-,29-/m1/s1
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7.70n/an/an/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM236570
PNG
(US9365582, 12)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2cccc(C)c2n1
Show InChI InChI=1S/C30H37N3O6/c1-4-38-25-16-24(21-12-9-10-18(2)26(21)31-25)39-20-14-22-23(15-20)28(35)33(3)13-8-6-5-7-11-19-17-30(19,29(36)37)32-27(22)34/h7,9-12,16,19-20,22-23H,4-6,8,13-15,17H2,1-3H3,(H,32,34)(H,36,37)/b11-7-/t19-,20-,22-,23-,30-/m1/s1
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17n/an/an/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM236562
PNG
(US9365582, 2)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2ccc(OC)c(C)c2n1
Show InChI InChI=1S/C31H39N3O7/c1-5-40-26-16-25(21-11-12-24(39-4)18(2)27(21)32-26)41-20-14-22-23(15-20)29(36)34(3)13-9-7-6-8-10-19-17-31(19,30(37)38)33-28(22)35/h8,10-12,16,19-20,22-23H,5-7,9,13-15,17H2,1-4H3,(H,33,35)(H,37,38)/b10-8-/t19-,20-,22-,23-,31-/m1/s1
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37n/an/an/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM236564
PNG
(US9365582, 4)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2ccc(OC)cc2n1
Show InChI InChI=1S/C30H37N3O7/c1-4-39-26-16-25(21-11-10-19(38-3)15-24(21)31-26)40-20-13-22-23(14-20)28(35)33(2)12-8-6-5-7-9-18-17-30(18,29(36)37)32-27(22)34/h7,9-11,15-16,18,20,22-23H,4-6,8,12-14,17H2,1-3H3,(H,32,34)(H,36,37)/b9-7-/t18-,20-,22-,23-,30-/m1/s1
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46n/an/an/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM236572
PNG
(US9365582, 14)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2ccc3OCOc3c2n1
Show InChI InChI=1S/C30H35N3O8/c1-3-38-24-14-23(19-9-10-22-26(25(19)31-24)40-16-39-22)41-18-12-20-21(13-18)28(35)33(2)11-7-5-4-6-8-17-15-30(17,29(36)37)32-27(20)34/h6,8-10,14,17-18,20-21H,3-5,7,11-13,15-16H2,1-2H3,(H,32,34)(H,36,37)/b8-6-/t17-,18-,20-,21-,30-/m1/s1
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58n/an/an/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...


Citation and Details
More data for this
Ligand-Target Pair
NS3-NS5B


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM236571
PNG
(US9365582, 13)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2cccc(C)c2n1
Show InChI InChI=1S/C33H42N4O7S/c1-4-43-28-18-27(24-12-9-10-20(2)29(24)34-28)44-22-16-25-26(17-22)31(39)37(3)15-8-6-5-7-11-21-19-33(21,35-30(25)38)32(40)36-45(41,42)23-13-14-23/h7,9-12,18,21-23,25-26H,4-6,8,13-17,19H2,1-3H3,(H,35,38)(H,36,40)/b11-7-/t21-,22-,25-,26-,33-/m1/s1
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n/an/an/an/a 14n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...


Citation and Details
More data for this
Ligand-Target Pair
NS3-NS5B


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM236572
PNG
(US9365582, 14)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2ccc3OCOc3c2n1
Show InChI InChI=1S/C30H35N3O8/c1-3-38-24-14-23(19-9-10-22-26(25(19)31-24)40-16-39-22)41-18-12-20-21(13-18)28(35)33(2)11-7-5-4-6-8-17-15-30(17,29(36)37)32-27(20)34/h6,8-10,14,17-18,20-21H,3-5,7,11-13,15-16H2,1-2H3,(H,32,34)(H,36,37)/b8-6-/t17-,18-,20-,21-,30-/m1/s1
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n/an/an/an/a 3.30E+3n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...


Citation and Details
More data for this
Ligand-Target Pair
NS3-NS5B


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM236573
PNG
(US9365582, 15)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc3OCOc3c2n1
Show InChI InChI=1S/C33H40N4O9S/c1-3-43-27-16-26(22-11-12-25-29(28(22)34-27)45-18-44-25)46-20-14-23-24(15-20)31(39)37(2)13-7-5-4-6-8-19-17-33(19,35-30(23)38)32(40)36-47(41,42)21-9-10-21/h6,8,11-12,16,19-21,23-24H,3-5,7,9-10,13-15,17-18H2,1-2H3,(H,35,38)(H,36,40)/b8-6-/t19-,20-,23-,24-,33-/m1/s1
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n/an/an/an/a 3.5n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...


Citation and Details
More data for this
Ligand-Target Pair
NS3-NS5B


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM236570
PNG
(US9365582, 12)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2cccc(C)c2n1
Show InChI InChI=1S/C30H37N3O6/c1-4-38-25-16-24(21-12-9-10-18(2)26(21)31-25)39-20-14-22-23(15-20)28(35)33(3)13-8-6-5-7-11-19-17-30(19,29(36)37)32-27(22)34/h7,9-12,16,19-20,22-23H,4-6,8,13-15,17H2,1-3H3,(H,32,34)(H,36,37)/b11-7-/t19-,20-,22-,23-,30-/m1/s1
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n/an/an/an/a 7.50E+3n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...


Citation and Details
More data for this
Ligand-Target Pair
NS3-NS5B


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM236568
PNG
(US9365582, 10)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2cccc(Cl)c2n1
Show InChI InChI=1S/C29H34ClN3O6/c1-3-38-24-15-23(19-10-8-11-22(30)25(19)31-24)39-18-13-20-21(14-18)27(35)33(2)12-7-5-4-6-9-17-16-29(17,28(36)37)32-26(20)34/h6,8-11,15,17-18,20-21H,3-5,7,12-14,16H2,1-2H3,(H,32,34)(H,36,37)/b9-6-/t17?,18-,20-,21-,29-/m1/s1
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n/an/an/an/a 3.81E+3n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...


Citation and Details
More data for this
Ligand-Target Pair
NS3-NS5B


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM236566
PNG
(US9365582, 7)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc(OC)c(Br)c2n1
Show InChI InChI=1S/C33H41BrN4O8S/c1-4-45-27-17-26(22-12-13-25(44-3)28(34)29(22)35-27)46-20-15-23-24(16-20)31(40)38(2)14-8-6-5-7-9-19-18-33(19,36-30(23)39)32(41)37-47(42,43)21-10-11-21/h7,9,12-13,17,19-21,23-24H,4-6,8,10-11,14-16,18H2,1-3H3,(H,36,39)(H,37,41)/b9-7-/t19-,20-,23-,24-,33-/m1/s1
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n/an/an/an/a 3.5n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...


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More data for this
Ligand-Target Pair
NS3-NS5B


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM236565
PNG
(US9365582, 5)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc(OC)cc2n1
Show InChI InChI=1S/C33H42N4O8S/c1-4-44-29-18-28(24-13-10-21(43-3)17-27(24)34-29)45-22-15-25-26(16-22)31(39)37(2)14-8-6-5-7-9-20-19-33(20,35-30(25)38)32(40)36-46(41,42)23-11-12-23/h7,9-10,13,17-18,20,22-23,25-26H,4-6,8,11-12,14-16,19H2,1-3H3,(H,35,38)(H,36,40)/b9-7-/t20-,22-,25-,26-,33-/m1/s1
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n/an/an/an/a 14n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...


Citation and Details
More data for this
Ligand-Target Pair
NS3-NS5B


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM236564
PNG
(US9365582, 4)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2ccc(OC)cc2n1
Show InChI InChI=1S/C30H37N3O7/c1-4-39-26-16-25(21-11-10-19(38-3)15-24(21)31-26)40-20-13-22-23(14-20)28(35)33(2)12-8-6-5-7-9-18-17-30(18,29(36)37)32-27(22)34/h7,9-11,15-16,18,20,22-23H,4-6,8,12-14,17H2,1-3H3,(H,32,34)(H,36,37)/b9-7-/t18-,20-,22-,23-,30-/m1/s1
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n/an/an/an/a 4.26E+3n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...


Citation and Details
More data for this
Ligand-Target Pair
NS3-NS5B


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM236562
PNG
(US9365582, 2)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2ccc(OC)c(C)c2n1
Show InChI InChI=1S/C31H39N3O7/c1-5-40-26-16-25(21-11-12-24(39-4)18(2)27(21)32-26)41-20-14-22-23(15-20)29(36)34(3)13-9-7-6-8-10-19-17-31(19,30(37)38)33-28(22)35/h8,10-12,16,19-20,22-23H,5-7,9,13-15,17H2,1-4H3,(H,33,35)(H,37,38)/b10-8-/t19-,20-,22-,23-,31-/m1/s1
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n/an/an/an/a 1.06E+3n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...


Citation and Details
More data for this
Ligand-Target Pair
NS3-NS5B


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM236569
PNG
(US9365582, 11)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2cccc(Cl)c2n1
Show InChI InChI=1S/C32H39ClN4O7S/c1-3-43-27-17-26(22-10-8-11-25(33)28(22)34-27)44-20-15-23-24(16-20)30(39)37(2)14-7-5-4-6-9-19-18-32(19,35-29(23)38)31(40)36-45(41,42)21-12-13-21/h6,8-11,17,19-21,23-24H,3-5,7,12-16,18H2,1-2H3,(H,35,38)(H,36,40)/b9-6-/t19-,20-,23-,24-,32-/m1/s1
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n/an/an/an/a 6.30n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...


Citation and Details
More data for this
Ligand-Target Pair
NS3-NS5B


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM236563
PNG
(US9365582, 3)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc(OC)c(C)c2n1
Show InChI InChI=1S/C34H44N4O8S/c1-5-45-29-18-28(24-13-14-27(44-4)20(2)30(24)35-29)46-22-16-25-26(17-22)32(40)38(3)15-9-7-6-8-10-21-19-34(21,36-31(25)39)33(41)37-47(42,43)23-11-12-23/h8,10,13-14,18,21-23,25-26H,5-7,9,11-12,15-17,19H2,1-4H3,(H,36,39)(H,37,41)/b10-8-/t21-,22-,25-,26-,34-/m1/s1
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n/an/an/an/a 4.30n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...


Citation and Details
More data for this
Ligand-Target Pair
NS3-NS5B


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM236567
PNG
(US9365582, 9)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc3OCCc3c2n1
Show InChI InChI=1S/C34H42N4O8S/c1-3-44-29-18-28(23-11-12-27-24(13-15-45-27)30(23)35-29)46-21-16-25-26(17-21)32(40)38(2)14-7-5-4-6-8-20-19-34(20,36-31(25)39)33(41)37-47(42,43)22-9-10-22/h6,8,11-12,18,20-22,25-26H,3-5,7,9-10,13-17,19H2,1-2H3,(H,36,39)(H,37,41)/b8-6-/t20-,21-,25-,26-,34-/m1/s1
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n/an/an/an/a 29n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...


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