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Patent code US9163017

Compile Data Set for Download or QSAR
Found 17 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 genotype 1a, isolate H))		BDBM186335
PNG
(US9163017, 9)
Show SMILES CC(C)c1ccc2c(Nc3cc(ccc3Sc3ccc(N)cc3)C#Cc3ccc(cc3)-c3c[nH]c(n3)[C@@H]3CCCN3C(=O)[C@H](N(C)C)c3ccccc3)ncnc2n1 |r|
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US Patent
n/an/a 5.05n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM186333
PNG
(US9163017, 7)
Show SMILES CC(C)c1ccc2c(Nc3cc(ccc3Sc3ccc(N)cc3)C#Cc3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@H](N(C)C)c4ccccc4)cc3)ncnc2n1 |r|
Show InChI InChI=1S/C45H44N8O2S/c1-29(2)37-24-23-36-42(50-37)47-28-48-43(36)51-38-27-31(16-25-40(38)56-35-21-17-33(46)18-22-35)13-12-30-14-19-34(20-15-30)49-44(54)39-11-8-26-53(39)45(55)41(52(3)4)32-9-6-5-7-10-32/h5-7,9-10,14-25,27-29,39,41H,8,11,26,46H2,1-4H3,(H,49,54)(H,47,48,50,51)/t39-,41+/m0/s1
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n/an/a 5.05n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM186334
PNG
(US9163017, 8)
Show SMILES CC(C)c1ccc2c(Nc3cc(ccc3Sc3ccc(N)cc3)-c3ccc(cc3)-c3ccc(cc3)-c3c[nH]c(n3)[C@@H]3CCCN3C(=O)[C@H](N(C)C)c3ccccc3)ncnc2n1 |r|
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n/an/a 5.05n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM186342
PNG
(US9163017, 16)
Show SMILES CC(C)c1ccc2c(Nc3cc(ccc3Sc3ccc(N)cc3)C(=O)Nc3cccc(NC(=O)[C@@H]4CCCN4C(=O)OCc4ccccc4)c3)ncnc2n1 |r|
Show InChI InChI=1S/C42H40N8O4S/c1-26(2)34-19-18-33-38(48-34)44-25-45-39(33)49-35-22-28(13-20-37(35)55-32-16-14-29(43)15-17-32)40(51)46-30-10-6-11-31(23-30)47-41(52)36-12-7-21-50(36)42(53)54-24-27-8-4-3-5-9-27/h3-6,8-11,13-20,22-23,25-26,36H,7,12,21,24,43H2,1-2H3,(H,46,51)(H,47,52)(H,44,45,48,49)/t36-/m0/s1
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n/an/a 5.05n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM186337
PNG
(US9163017, 11)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)C#Cc1ccc(Sc2ccc(N)cc2)c(Nc2ncnc3nc(ccc23)C(C)C)c1 |r|
Show InChI InChI=1S/C42H44N8O4S/c1-25(2)33-20-19-32-38(47-33)44-24-45-39(32)48-34-23-28(12-21-36(34)55-31-17-13-29(43)14-18-31)9-8-27-10-15-30(16-11-27)46-40(51)35-7-6-22-50(35)41(52)37(26(3)4)49-42(53)54-5/h10-21,23-26,35,37H,6-7,22,43H2,1-5H3,(H,46,51)(H,49,53)(H,44,45,47,48)/t35-,37-/m0/s1
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n/an/a 5.05n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM186338
PNG
(US9163017, 12)
Show SMILES COc1ccc(Sc2ccc(cc2Nc2ncnc3nc(ccc23)C(C)C)C#Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C44H40N6O4S/c1-29(2)37-23-22-36-41(48-37)45-28-46-42(36)49-38-26-31(15-24-40(38)55-35-20-18-34(53-3)19-21-35)12-11-30-13-16-33(17-14-30)47-43(51)39-10-7-25-50(39)44(52)54-27-32-8-5-4-6-9-32/h4-6,8-9,13-24,26,28-29,39H,7,10,25,27H2,1-3H3,(H,47,51)(H,45,46,48,49)/t39-/m0/s1
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n/an/a 5.05n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM186318
PNG
(US9163017, 2)
Show SMILES CC(C)c1ccc2c(Nc3cc(ccc3Sc3ccc(N)cc3)C(=O)Nc3ccc(cc3)-c3c[nH]c(n3)[C@@H]3CCCN3C(=O)[C@H](N(C)C)c3ccccc3)ncnc2n1 |r|
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n/an/a 5.05n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM186339
PNG
(US9163017, 13)
Show SMILES COc1ccc(Sc2ccc(cc2Nc2ncnc3nc(ccc23)C(C)C)C#Cc2ccc(cc2)-c2c[nH]c(n2)[C@@H]2CCCN2C(=O)[C@H](N(C)C)c2ccccc2)cc1 |r|
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n/an/a 5.05n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM186343
PNG
(US9163017, 17)
Show SMILES CC(C)c1ccc2c(Nc3cc(NC(=O)[C@@H]4CCCN4C(=O)OCc4ccccc4)ccc3Sc3ccc(N)cc3)ncnc2n1 |r|
Show InChI InChI=1S/C35H35N7O3S/c1-22(2)28-16-15-27-32(40-28)37-21-38-33(27)41-29-19-25(12-17-31(29)46-26-13-10-24(36)11-14-26)39-34(43)30-9-6-18-42(30)35(44)45-20-23-7-4-3-5-8-23/h3-5,7-8,10-17,19,21-22,30H,6,9,18,20,36H2,1-2H3,(H,39,43)(H,37,38,40,41)/t30-/m0/s1
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n/an/a 5.05n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM186331
PNG
(US9163017, 5)
Show SMILES CC(C)c1ccc2c(Nc3cc(ccc3Sc3ccc(N)cc3)C#Cc3ccc(NC(=O)[C@@H]4CCCN4C(=O)OCc4ccccc4)cc3)ncnc2n1 |r|
Show InChI InChI=1S/C43H39N7O3S/c1-28(2)36-22-21-35-40(48-36)45-27-46-41(35)49-37-25-30(14-23-39(37)54-34-19-15-32(44)16-20-34)11-10-29-12-17-33(18-13-29)47-42(51)38-9-6-24-50(38)43(52)53-26-31-7-4-3-5-8-31/h3-5,7-8,12-23,25,27-28,38H,6,9,24,26,44H2,1-2H3,(H,47,51)(H,45,46,48,49)/t38-/m0/s1
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n/an/a 5.05n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM186336
PNG
(US9163017, 10)
Show SMILES CC(C)c1ccc2c(Nc3cc(ccc3Sc3ccc(N)cc3)C#Cc3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](Cc4ccccc4)N(C)C)cc3)ncnc2n1 |r|
Show InChI InChI=1S/C46H46N8O2S/c1-30(2)38-24-23-37-43(51-38)48-29-49-44(37)52-39-27-33(16-25-42(39)57-36-21-17-34(47)18-22-36)13-12-31-14-19-35(20-15-31)50-45(55)40-11-8-26-54(40)46(56)41(53(3)4)28-32-9-6-5-7-10-32/h5-7,9-10,14-25,27,29-30,40-41H,8,11,26,28,47H2,1-4H3,(H,50,55)(H,48,49,51,52)/t40-,41+/m0/s1
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n/an/a 5.05n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM186324
PNG
(US9163017, 3)
Show SMILES CC(C)c1ccc2c(Nc3cc(ccc3Sc3ccc(N)cc3)C(=O)Nc3ccc(NC(=O)C4CCCN4C(=O)OCc4ccccc4)cc3)ncnc2n1
Show InChI InChI=1S/C42H40N8O4S/c1-26(2)34-20-19-33-38(48-34)44-25-45-39(33)49-35-23-28(10-21-37(35)55-32-17-11-29(43)12-18-32)40(51)46-30-13-15-31(16-14-30)47-41(52)36-9-6-22-50(36)42(53)54-24-27-7-4-3-5-8-27/h3-5,7-8,10-21,23,25-26,36H,6,9,22,24,43H2,1-2H3,(H,46,51)(H,47,52)(H,44,45,48,49)
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n/an/a 5.05n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM186332
PNG
(US9163017, 6)
Show SMILES CC(C)c1ccc2c(Nc3cc(ccc3Sc3ccc(N)cc3)-c3ccc(cc3)-c3c[nH]c(n3)[C@@H]3CCCN3C(=O)[C@H](N(C)C)c3ccccc3)ncnc2n1 |r|
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n/an/a 5.05n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM186329
PNG
(US9163017, 4)
Show SMILES CC(C)c1ccc2c(Nc3cc(ccc3Sc3ccc(N)cc3)C(=O)Nc3ccc(NC(=O)C4CCCN4)cc3)ncnc2n1
Show InChI InChI=1S/C34H34N8O2S/c1-20(2)27-15-14-26-31(41-27)37-19-38-32(26)42-29-18-21(5-16-30(29)45-25-12-6-22(35)7-13-25)33(43)39-23-8-10-24(11-9-23)40-34(44)28-4-3-17-36-28/h5-16,18-20,28,36H,3-4,17,35H2,1-2H3,(H,39,43)(H,40,44)(H,37,38,41,42)
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n/an/a 55n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM186340
PNG
(US9163017, 14)
Show SMILES COc1ccc(Sc2ccc(cc2Nc2ncnc3nc(ccc23)C(C)C)C#Cc2ccc(cc2)-c2c[nH]c(n2)[C@@H]2CCCN2C(=O)[C@@H]2CCCO2)cc1 |r|
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n/an/a 55n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM186305
PNG
(US9163017, 1)
Show SMILES CC(C)c1ccc2c(Nc3cc(ccc3Sc3ccc(N)cc3)C(=O)Nc3ccc(cc3)-c3c[nH]c(n3)[C@@H]3CCCN3C(=O)Cc3ccccc3)ncnc2n1 |r|
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n/an/a 55n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM186341
PNG
(US9163017, 15)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)C#Cc1ccc(Sc2ccc(N)cc2)c(Nc2ncnc3nc(ccc23)C(C)C)c1 |r|
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n/an/a 55n/an/an/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. ...

US Patent US9163017 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MX7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%