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Patent code US9145354

Compile Data Set for Download or QSAR

Found 231 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))		BDBM183589
PNG
(US9145354, 241)
Show SMILES CC[C@@H](N[C@H](C)CC(=O)NCCN)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C21H27ClFN5O2/c1-3-16(28-12(2)10-18(29)26-9-8-24)14-5-6-15(22)19(20(14)23)21(30)13-4-7-17(25)27-11-13/h4-7,11-12,16,28H,3,8-10,24H2,1-2H3,(H2,25,27)(H,26,29)/t12-,16-/m1/s1
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n/an/a 36n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183547
PNG
(US9145354, 182)
Show SMILES CC[C@H](NCCCO)c1ccc(Cl)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C19H21ClFNO2/c1-2-16(22-11-6-12-23)14-9-10-15(20)17(18(14)21)19(24)13-7-4-3-5-8-13/h3-5,7-10,16,22-23H,2,6,11-12H2,1H3/t16-/m0/s1
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n/an/a 38n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183530
PNG
(US9145354, 157)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(F)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C20H22F2N2O2/c1-3-16(24-12(2)11-17(23)25)14-9-10-15(21)18(19(14)22)20(26)13-7-5-4-6-8-13/h4-10,12,16,24H,3,11H2,1-2H3,(H2,23,25)/t12-,16+/m0/s1
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n/an/a 45n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183490
PNG
(US9145354, 97)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(F)cc2)c1F |r|
Show InChI InChI=1S/C20H21ClF2N2O2/c1-3-16(25-11(2)10-17(24)26)14-8-9-15(21)18(19(14)23)20(27)12-4-6-13(22)7-5-12/h4-9,11,16,25H,3,10H2,1-2H3,(H2,24,26)/t11-,16+/m0/s1
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n/an/a 47n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183527
PNG
(US9145354, 152)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C21H25FN2O3/c1-4-16(24-13(2)12-18(23)25)15-10-11-17(27-3)19(20(15)22)21(26)14-8-6-5-7-9-14/h5-11,13,16,24H,4,12H2,1-3H3,(H2,23,25)/t13-,16+/m0/s1
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n/an/a 51n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183469
PNG
(US9145354, 69)
Show SMILES COc1cc(ccc1C#N)C(=O)c1c(Cl)ccc([C@H](N)C2CC2)c1F |r|
Show InChI InChI=1S/C19H16ClFN2O2/c1-25-15-8-11(4-5-12(15)9-22)19(24)16-14(20)7-6-13(17(16)21)18(23)10-2-3-10/h4-8,10,18H,2-3,23H2,1H3/t18-/m1/s1
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n/an/a 52n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183540
PNG
(US9145354, 171)
Show SMILES CC[C@H](NCCO)c1ccc(Cl)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C18H19ClFNO2/c1-2-15(21-10-11-22)13-8-9-14(19)16(17(13)20)18(23)12-6-4-3-5-7-12/h3-9,15,21-22H,2,10-11H2,1H3/t15-/m0/s1
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n/an/a 56n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183480
PNG
(US9145354, 84)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C20H22ClFN2O2/c1-3-16(24-12(2)11-17(23)25)14-9-10-15(21)18(19(14)22)20(26)13-7-5-4-6-8-13/h4-10,12,16,24H,3,11H2,1-2H3,(H2,23,25)/t12-,16+/m0/s1
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n/an/a 57n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183434
PNG
(US9145354, 32)
Show SMILES N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccc(cc2)C#N)c1F |r|
Show InChI InChI=1S/C18H14ClFN2O/c19-14-8-7-13(17(22)11-5-6-11)16(20)15(14)18(23)12-3-1-10(9-21)2-4-12/h1-4,7-8,11,17H,5-6,22H2/t17-/m1/s1
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n/an/a 58n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183481
PNG
(US9145354, 85)
Show SMILES CC[C@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C20H22ClFN2O2/c1-3-16(24-12(2)11-17(23)25)14-9-10-15(21)18(19(14)22)20(26)13-7-5-4-6-8-13/h4-10,12,16,24H,3,11H2,1-2H3,(H2,23,25)/t12-,16+/m1/s1
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n/an/a 61n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183545
PNG
(US9145354, 179)
Show SMILES CCC(NC(C)(C)CO)c1ccc(Cl)c(C(=O)c2ccccc2)c1F
Show InChI InChI=1S/C20H23ClFNO2/c1-4-16(23-20(2,3)12-24)14-10-11-15(21)17(18(14)22)19(25)13-8-6-5-7-9-13/h5-11,16,23-24H,4,12H2,1-3H3
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n/an/a 63n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183631
PNG
(US9145354, 298)
Show SMILES CC[C@H](NC(=O)C[C@@H](N)C(C)C)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
Show InChI InChI=1S/C21H25ClFN3O2/c1-4-17(26-18(27)10-16(24)12(2)3)14-7-8-15(22)19(20(14)23)21(28)13-6-5-9-25-11-13/h5-9,11-12,16-17H,4,10,24H2,1-3H3,(H,26,27)/t16-,17+/m1/s1
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n/an/a 64n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183636
PNG
(US9145354, 303)
Show SMILES CC[C@H](NC(=O)CCN)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C18H20ClFN4O2/c1-2-13(24-15(25)7-8-21)11-4-5-12(19)16(17(11)20)18(26)10-3-6-14(22)23-9-10/h3-6,9,13H,2,7-8,21H2,1H3,(H2,22,23)(H,24,25)/t13-/m0/s1
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n/an/a 65n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60671
PNG
(BDBM183487 | US9145354, 92)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(cc2)C#N)c1F |r|
Show InChI InChI=1S/C21H21ClFN3O2/c1-3-17(26-12(2)10-18(25)27)15-8-9-16(22)19(20(15)23)21(28)14-6-4-13(11-24)5-7-14/h4-9,12,17,26H,3,10H2,1-2H3,(H2,25,27)/t12-,17+/m0/s1
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n/an/a 66n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183526
PNG
(US9145354, 150)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(C)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C21H25FN2O2/c1-4-17(24-14(3)12-18(23)25)16-11-10-13(2)19(20(16)22)21(26)15-8-6-5-7-9-15/h5-11,14,17,24H,4,12H2,1-3H3,(H2,23,25)/t14-,17+/m0/s1
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n/an/a 68n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183497
PNG
(US9145354, 108)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccns2)c1F |r|
Show InChI InChI=1S/C17H19ClFN3O2S/c1-3-12(22-9(2)8-14(20)23)10-4-5-11(18)15(16(10)19)17(24)13-6-7-21-25-13/h4-7,9,12,22H,3,8H2,1-2H3,(H2,20,23)/t9-,12+/m0/s1
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n/an/a 70n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60669
PNG
(US9145354, 24)
Show SMILES CC[C@H](N)c1ccc(Cl)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C16H15ClFNO/c1-2-13(19)11-8-9-12(17)14(15(11)18)16(20)10-6-4-3-5-7-10/h3-9,13H,2,19H2,1H3/t13-/m0/s1
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n/an/a 75n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183413
PNG
(US9145354, 9)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(C=N)cc2)c1F |r|
Show InChI InChI=1S/C17H16ClFN2O/c1-2-14(21)12-7-8-13(18)15(16(12)19)17(22)11-5-3-10(9-20)4-6-11/h3-9,14,20H,2,21H2,1H3/t14-/m1/s1
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n/an/a 76n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183493
PNG
(US9145354, 103)
Show SMILES C[C@@H](CC(N)=O)N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C21H22ClFN2O2/c1-12(11-17(24)26)25-20(13-7-8-13)15-9-10-16(22)18(19(15)23)21(27)14-5-3-2-4-6-14/h2-6,9-10,12-13,20,25H,7-8,11H2,1H3,(H2,24,26)/t12-,20+/m0/s1
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n/an/a 77n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183562
PNG
(US9145354, 200)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2ccc(F)cc2)c1F |r|
Show InChI InChI=1S/C21H24F2N2O3/c1-4-16(25-12(2)11-18(24)26)15-9-10-17(28-3)19(20(15)23)21(27)13-5-7-14(22)8-6-13/h5-10,12,16,25H,4,11H2,1-3H3,(H2,24,26)/t12-,16+/m0/s1
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n/an/a 78n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183577
PNG
(US9145354, 224)
Show SMILES COc1ccc([C@H](N[C@@H](C)CC(N)=O)C2CC2)c(F)c1C(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C22H24F2N2O3/c1-12(10-18(25)27)26-21(13-6-7-13)16-8-9-17(29-2)19(20(16)24)22(28)14-4-3-5-15(23)11-14/h3-5,8-9,11-13,21,26H,6-7,10H2,1-2H3,(H2,25,27)/t12-,21+/m0/s1
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n/an/a 81n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183514
PNG
(US9145354, 134)
Show SMILES C[C@@H](CC(N)=O)N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccncc2)c1F |r|
Show InChI InChI=1S/C20H21ClFN3O2/c1-11(10-16(23)26)25-19(12-2-3-12)14-4-5-15(21)17(18(14)22)20(27)13-6-8-24-9-7-13/h4-9,11-12,19,25H,2-3,10H2,1H3,(H2,23,26)/t11-,19+/m0/s1
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n/an/a 85n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60704
PNG
(BDBM183583 | US9145354, 220 | US9145354, 267)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)c(Cl)c2)c1F |r|
Show InChI InChI=1S/C20H22Cl2FN3O2/c1-3-16(26-10(2)8-17(25)27)12-5-6-13(21)18(19(12)23)20(28)11-4-7-15(24)14(22)9-11/h4-7,9-10,16,26H,3,8,24H2,1-2H3,(H2,25,27)/t10-,16+/m0/s1
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n/an/a 85n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183489
PNG
(US9145354, 95)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cccc(F)c2)c1F |r|
Show InChI InChI=1S/C20H21ClF2N2O2/c1-3-16(25-11(2)9-17(24)26)14-7-8-15(21)18(19(14)23)20(27)12-5-4-6-13(22)10-12/h4-8,10-11,16,25H,3,9H2,1-2H3,(H2,24,26)/t11-,16+/m0/s1
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n/an/a 85n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183544
PNG
(US9145354, 178)
Show SMILES CC[C@H](N[C@H](C)CO)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C18H21ClFN3O2/c1-3-14(23-10(2)9-24)12-5-6-13(19)16(17(12)20)18(25)11-4-7-15(21)22-8-11/h4-8,10,14,23-24H,3,9H2,1-2H3,(H2,21,22)/t10-,14+/m1/s1
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n/an/a 88n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183405
PNG
(US9145354, 1)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C15H15ClFN3O/c1-2-11(18)9-4-5-10(16)13(14(9)17)15(21)8-3-6-12(19)20-7-8/h3-7,11H,2,18H2,1H3,(H2,19,20)/t11-/m1/s1
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n/an/a 89n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60668
PNG
(BDBM183408 | US9145354, 23)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C16H15ClFNO/c1-2-13(19)11-8-9-12(17)14(15(11)18)16(20)10-6-4-3-5-7-10/h3-9,13H,2,19H2,1H3/t13-/m1/s1
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n/an/a 89n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183501
PNG
(US9145354, 113)
Show SMILES CC[C@@H](NC(C)(C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
Show InChI InChI=1S/C20H23ClFN3O2/c1-4-15(25-20(2,3)10-16(23)26)13-7-8-14(21)17(18(13)22)19(27)12-6-5-9-24-11-12/h5-9,11,15,25H,4,10H2,1-3H3,(H2,23,26)/t15-/m1/s1
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n/an/a 93n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183570
PNG
(US9145354, 212)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2cccc(F)c2)c1F |r|
Show InChI InChI=1S/C21H24F2N2O3/c1-4-16(25-12(2)10-18(24)26)15-8-9-17(28-3)19(20(15)23)21(27)13-6-5-7-14(22)11-13/h5-9,11-12,16,25H,4,10H2,1-3H3,(H2,24,26)/t12-,16+/m0/s1
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n/an/a 94n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183596
PNG
(US9145354, 250)
Show SMILES CC[C@@H](NC(C)(C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C20H24ClFN4O2/c1-4-14(26-20(2,3)9-16(24)27)12-6-7-13(21)17(18(12)22)19(28)11-5-8-15(23)25-10-11/h5-8,10,14,26H,4,9H2,1-3H3,(H2,23,25)(H2,24,27)/t14-/m1/s1
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n/an/a 95n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183537
PNG
(US9145354, 167)
Show SMILES CC[C@@H](NCCC(N)=O)c1ccc(Cl)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C19H20ClFN2O2/c1-2-15(23-11-10-16(22)24)13-8-9-14(20)17(18(13)21)19(25)12-6-4-3-5-7-12/h3-9,15,23H,2,10-11H2,1H3,(H2,22,24)/t15-/m1/s1
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n/an/a 98n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183569
PNG
(US9145354, 210)
Show SMILES COc1ccc([C@H](N[C@@H](C)CC(N)=O)C2CC2)c(F)c1C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H24F2N2O3/c1-12(11-18(25)27)26-21(13-3-4-13)16-9-10-17(29-2)19(20(16)24)22(28)14-5-7-15(23)8-6-14/h5-10,12-13,21,26H,3-4,11H2,1-2H3,(H2,25,27)/t12-,21+/m0/s1
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n/an/a 98n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183492
PNG
(US9145354, 101)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cccc(c2)C#N)c1F |r|
Show InChI InChI=1S/C21H21ClFN3O2/c1-3-17(26-12(2)9-18(25)27)15-7-8-16(22)19(20(15)23)21(28)14-6-4-5-13(10-14)11-24/h4-8,10,12,17,26H,3,9H2,1-2H3,(H2,25,27)/t12-,17+/m0/s1
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n/an/a 110n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183605
PNG
(US9145354, 263)
Show SMILES C[C@@H](CC(N)=O)N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccc(CO)cc2)c1F |r|
Show InChI InChI=1S/C22H24ClFN2O3/c1-12(10-18(25)28)26-21(14-6-7-14)16-8-9-17(23)19(20(16)24)22(29)15-4-2-13(11-27)3-5-15/h2-5,8-9,12,14,21,26-27H,6-7,10-11H2,1H3,(H2,25,28)/t12-,21+/m0/s1
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n/an/a 110n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60723
PNG
(BDBM183602 | US9145354, 268)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)c(C)c2)c1F |r|
Show InChI InChI=1S/C21H25ClFN3O2/c1-4-17(26-12(3)10-18(25)27)14-6-7-15(22)19(20(14)23)21(28)13-5-8-16(24)11(2)9-13/h5-9,12,17,26H,4,10,24H2,1-3H3,(H2,25,27)/t12-,17+/m0/s1
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n/an/a 110n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183612
PNG
(US9145354, 276)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2cccc(c2)C#N)c1F |r|
Show InChI InChI=1S/C22H24FN3O3/c1-4-17(26-13(2)10-19(25)27)16-8-9-18(29-3)20(21(16)23)22(28)15-7-5-6-14(11-15)12-24/h5-9,11,13,17,26H,4,10H2,1-3H3,(H2,25,27)/t13-,17+/m0/s1
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n/an/a 110n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183495
PNG
(US9145354, 106)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccncc2)c1F |r|
Show InChI InChI=1S/C19H21ClFN3O2/c1-3-15(24-11(2)10-16(22)25)13-4-5-14(20)17(18(13)21)19(26)12-6-8-23-9-7-12/h4-9,11,15,24H,3,10H2,1-2H3,(H2,22,25)/t11-,15+/m0/s1
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n/an/a 110n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183551
PNG
(US9145354, 186)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(CO)cc2)c1F |r|
Show InChI InChI=1S/C21H24ClFN2O3/c1-3-17(25-12(2)10-18(24)27)15-8-9-16(22)19(20(15)23)21(28)14-6-4-13(11-26)5-7-14/h4-9,12,17,25-26H,3,10-11H2,1-2H3,(H2,24,27)/t12-,17+/m0/s1
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n/an/a 110n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60668
PNG
(BDBM183408 | US9145354, 23)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C16H15ClFNO/c1-2-13(19)11-8-9-12(17)14(15(11)18)16(20)10-6-4-3-5-7-10/h3-9,13H,2,19H2,1H3/t13-/m1/s1
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n/an/a 110n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183586
PNG
(US9145354, 238)
Show SMILES C[C@@H](CC(N)=O)N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccc(cn2)C#N)c1F |r|
Show InChI InChI=1S/C21H20ClFN4O2/c1-11(8-17(25)28)27-20(13-3-4-13)14-5-6-15(22)18(19(14)23)21(29)16-7-2-12(9-24)10-26-16/h2,5-7,10-11,13,20,27H,3-4,8H2,1H3,(H2,25,28)/t11-,20+/m0/s1
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n/an/a 110n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183506
PNG
(US9145354, 125 | US9145354, 126 | US9145354, 127)
Show SMILES CCC(NC1CCCC1C(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F
Show InChI InChI=1S/C21H24ClFN4O2/c1-2-15(27-16-5-3-4-13(16)21(25)29)12-7-8-14(22)18(19(12)23)20(28)11-6-9-17(24)26-10-11/h6-10,13,15-16,27H,2-5H2,1H3,(H2,24,26)(H2,25,29)
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n/an/a 120n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183503
PNG
(US9145354, 119)
Show SMILES C[C@@H](CC(N)=O)N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
Show InChI InChI=1S/C20H21ClFN3O2/c1-11(9-16(23)26)25-19(12-4-5-12)14-6-7-15(21)17(18(14)22)20(27)13-3-2-8-24-10-13/h2-3,6-8,10-12,19,25H,4-5,9H2,1H3,(H2,23,26)/t11-,19+/m0/s1
PDB
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UniProtKB/SwissProt

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n/an/a 120n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183513
PNG
(US9145354, 133)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(nc2)C#N)c1F |r|
Show InChI InChI=1S/C20H20ClFN4O2/c1-3-16(26-11(2)8-17(24)27)14-6-7-15(21)18(19(14)22)20(28)12-4-5-13(9-23)25-10-12/h4-7,10-11,16,26H,3,8H2,1-2H3,(H2,24,27)/t11-,16+/m0/s1
PDB
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n/an/a 120n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183611
PNG
(US9145354, 275)
Show SMILES COc1cc(ccc1C#N)C(=O)c1c(Cl)ccc([C@H](N[C@@H](C)CC(N)=O)C2CC2)c1F |r|
Show InChI InChI=1S/C23H23ClFN3O3/c1-12(9-19(27)29)28-22(13-3-4-13)16-7-8-17(24)20(21(16)25)23(30)14-5-6-15(11-26)18(10-14)31-2/h5-8,10,12-13,22,28H,3-4,9H2,1-2H3,(H2,27,29)/t12-,22+/m0/s1
PDB
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n/an/a 130n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183415
PNG
(US9145354, 11)
Show SMILES N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C17H15ClFNO/c18-13-9-8-12(16(20)10-6-7-10)15(19)14(13)17(21)11-4-2-1-3-5-11/h1-5,8-10,16H,6-7,20H2/t16-/m1/s1
PDB
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n/an/a 130n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183619
PNG
(US9145354, 286)
Show SMILES CC[C@H](NC(=O)C1=CCNC1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r,t:6|
Show InChI InChI=1S/C20H19ClFN3O2/c1-2-16(25-20(27)13-7-9-24-11-13)14-5-6-15(21)17(18(14)22)19(26)12-4-3-8-23-10-12/h3-8,10,16,24H,2,9,11H2,1H3,(H,25,27)/t16-/m0/s1
PDB
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n/an/a 130n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183542
PNG
(US9145354, 173)
Show SMILES CC[C@H](NCCO)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C17H19ClFN3O2/c1-2-13(21-7-8-23)11-4-5-12(18)15(16(11)19)17(24)10-3-6-14(20)22-9-10/h3-6,9,13,21,23H,2,7-8H2,1H3,(H2,20,22)/t13-/m0/s1
PDB
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n/an/a 130n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60719
PNG
(BDBM183478 | US9145354, 265)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C19H22ClFN4O2/c1-3-14(25-10(2)8-16(23)26)12-5-6-13(20)17(18(12)21)19(27)11-4-7-15(22)24-9-11/h4-7,9-10,14,25H,3,8H2,1-2H3,(H2,22,24)(H2,23,26)/t10-,14+/m0/s1
PDB
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n/an/a 130n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183584
PNG
(US9145354, 235)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(C#N)c(OC)c2)c1F |r|
Show InChI InChI=1S/C22H23ClFN3O3/c1-4-17(27-12(2)9-19(26)28)15-7-8-16(23)20(21(15)24)22(29)13-5-6-14(11-25)18(10-13)30-3/h5-8,10,12,17,27H,4,9H2,1-3H3,(H2,26,28)/t12-,17+/m0/s1
PDB
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n/an/a 130n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183486
PNG
(US9145354, 90)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(F)c(F)c2)c1F |r|
Show InChI InChI=1S/C20H20ClF3N2O2/c1-3-16(26-10(2)8-17(25)27)12-5-6-13(21)18(19(12)24)20(28)11-4-7-14(22)15(23)9-11/h4-7,9-10,16,26H,3,8H2,1-2H3,(H2,25,27)/t10-,16+/m0/s1
PDB
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UniProtKB/SwissProt

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n/an/a 130n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 231 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%