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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))		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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US Patent
n/an/a 340n/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))		BDBM60674
PNG
(US9145354, 100)
Show SMILES CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cncnc2)c1F |r|
Show InChI InChI=1S/C18H20ClFN4O2/c1-3-14(24-10(2)6-15(21)25)12-4-5-13(19)16(17(12)20)18(26)11-7-22-9-23-8-11/h4-5,7-10,14,24H,3,6H2,1-2H3,(H2,21,25)/t10-,14-/m1/s1
PDB
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US Patent
n/an/a 1.40E+4n/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))		BDBM60683
PNG
(US9145354, 140)
Show SMILES CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(nc2)-n2cccn2)c1F |r|
Show InChI InChI=1S/C22H23ClFN5O2/c1-3-17(28-13(2)11-18(25)30)15-6-7-16(23)20(21(15)24)22(31)14-5-8-19(26-12-14)29-10-4-9-27-29/h4-10,12-13,17,28H,3,11H2,1-2H3,(H2,25,30)/t13-,17-/m1/s1
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n/an/a 3.90E+3n/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))		BDBM60699
PNG
(US9145354, 206)
Show SMILES CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccnc(N)c2)c1F |r|
Show InChI InChI=1S/C19H22ClFN4O2/c1-3-14(25-10(2)8-16(23)26)12-4-5-13(20)17(18(12)21)19(27)11-6-7-24-15(22)9-11/h4-7,9-10,14,25H,3,8H2,1-2H3,(H2,22,24)(H2,23,26)/t10-,14-/m1/s1
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n/an/a 1.20E+3n/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))		BDBM60706
PNG
(US9145354, 221)
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-/m1/s1
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n/an/a 360n/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))		BDBM183621
PNG
(US9145354, 288)
Show SMILES CC[C@@H](NCc1cnc[nH]1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
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n/an/a 1.40E+3n/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))		BDBM183629
PNG
(US9145354, 296)
Show SMILES CC[C@@H](NC1CC1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
Show InChI InChI=1S/C18H18ClFN2O/c1-2-15(22-12-5-6-12)13-7-8-14(19)16(17(13)20)18(23)11-4-3-9-21-10-11/h3-4,7-10,12,15,22H,2,5-6H2,1H3/t15-/m1/s1
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n/an/a 1.30E+4n/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))		BDBM183630
PNG
(US9145354, 297)
Show SMILES CC[C@H](NC(=O)CCN)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
Show InChI InChI=1S/C18H19ClFN3O2/c1-2-14(23-15(24)7-8-21)12-5-6-13(19)16(17(12)20)18(25)11-4-3-9-22-10-11/h3-6,9-10,14H,2,7-8,21H2,1H3,(H,23,24)/t14-/m0/s1
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n/an/a 150n/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))		BDBM183414
PNG
(US9145354, 10)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccncn2)c1F |r|
Show InChI InChI=1S/C14H13ClFN3O/c1-2-10(17)8-3-4-9(15)12(13(8)16)14(20)11-5-6-18-7-19-11/h3-7,10H,2,17H2,1H3/t10-/m1/s1
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n/an/a 3.50E+3n/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))		BDBM183423
PNG
(US9145354, 19)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(nc2)C(O)=O)c1F |r|
Show InChI InChI=1S/C16H14ClFN2O3/c1-2-11(19)9-4-5-10(17)13(14(9)18)15(21)8-3-6-12(16(22)23)20-7-8/h3-7,11H,2,19H2,1H3,(H,22,23)/t11-/m1/s1
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n/an/a 2.00E+4n/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))		BDBM183425
PNG
(US9145354, 21)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2cc(C)on2)c1F |r|
Show InChI InChI=1S/C14H14ClFN2O2/c1-3-10(17)8-4-5-9(15)12(13(8)16)14(19)11-6-7(2)20-18-11/h4-6,10H,3,17H2,1-2H3/t10-/m1/s1
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US Patent
n/an/a 1.00E+3n/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))		BDBM183445
PNG
(US9145354, 43)
Show SMILES CC[C@@H](N)c1ccc(F)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C16H15F2NO/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 740n/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))		BDBM183453
PNG
(US9145354, 52)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccnc(N)c2)c1F |r|
Show InChI InChI=1S/C15H15ClFN3O/c1-2-11(18)9-3-4-10(16)13(14(9)17)15(21)8-5-6-20-12(19)7-8/h3-7,11H,2,18H2,1H3,(H2,19,20)/t11-/m1/s1
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n/an/a 770n/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))		BDBM183462
PNG
(US9145354, 62)
Show SMILES N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccc(cn2)C#N)c1F |r|
Show InChI InChI=1S/C17H13ClFN3O/c18-12-5-4-11(16(21)10-2-3-10)15(19)14(12)17(23)13-6-1-9(7-20)8-22-13/h1,4-6,8,10,16H,2-3,21H2/t16-/m1/s1
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n/an/a 320n/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))		BDBM183465
PNG
(US9145354, 65)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc3NCCOc3c2)c1F |r|
Show InChI InChI=1S/C18H18ClFN2O2/c1-2-13(21)11-4-5-12(19)16(17(11)20)18(23)10-3-6-14-15(9-10)24-8-7-22-14/h3-6,9,13,22H,2,7-8,21H2,1H3/t13-/m1/s1
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n/an/a 160n/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))		BDBM183482
PNG
(US9145354, 86)
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 1.00E+3n/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))		BDBM60672
PNG
(BDBM183488 | US9145354, 94)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
Show InChI InChI=1S/C19H21ClFN3O2/c1-3-15(24-11(2)9-16(22)25)13-6-7-14(20)17(18(13)21)19(26)12-5-4-8-23-10-12/h4-8,10-11,15,24H,3,9H2,1-2H3,(H2,22,25)/t11-,15+/m0/s1
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n/an/a 140n/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))		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))		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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US Patent
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))		BDBM183522
PNG
(US9145354, 145)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cncc(N)c2)c1F |r|
Show InChI InChI=1S/C19H22ClFN4O2/c1-3-15(25-10(2)6-16(23)26)13-4-5-14(20)17(18(13)21)19(27)11-7-12(22)9-24-8-11/h4-5,7-10,15,25H,3,6,22H2,1-2H3,(H2,23,26)/t10-,15+/m0/s1
PDB
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US Patent
n/an/a 840n/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))		BDBM183548
PNG
(US9145354, 183)
Show SMILES CC[C@@H](NCCC(N)=O)c1ccc(Cl)c(C(=O)c2cnc(N)cn2)c1F |r|
Show InChI InChI=1S/C17H19ClFN5O2/c1-2-11(22-6-5-14(21)25)9-3-4-10(18)15(16(9)19)17(26)12-7-24-13(20)8-23-12/h3-4,7-8,11,22H,2,5-6H2,1H3,(H2,20,24)(H2,21,25)/t11-/m1/s1
PDB
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n/an/a 500n/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
PDB
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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))		BDBM183555
PNG
(US9145354, 192)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cnc(NC)cn2)c1F |r|
Show InChI InChI=1S/C19H23ClFN5O2/c1-4-13(26-10(2)7-15(22)27)11-5-6-12(20)17(18(11)21)19(28)14-8-25-16(23-3)9-24-14/h5-6,8-10,13,26H,4,7H2,1-3H3,(H2,22,27)(H,23,25)/t10-,13+/m0/s1
PDB
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n/an/a 630n/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))		BDBM183558
PNG
(US9145354, 196)
Show SMILES COc1ccc([C@H](N)C2CC2)c(F)c1C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H17F2NO2/c1-23-14-9-8-13(17(21)10-2-3-10)16(20)15(14)18(22)11-4-6-12(19)7-5-11/h4-10,17H,2-3,21H2,1H3/t17-/m1/s1
PDB
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n/an/a 2.30E+3n/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))		BDBM183560
PNG
(US9145354, 198)
Show SMILES CC[C@@H](N)c1ccc(OC)c(C(=O)c2cccc(F)c2)c1F |r|
Show InChI InChI=1S/C17H17F2NO2/c1-3-13(20)12-7-8-14(22-2)15(16(12)19)17(21)10-5-4-6-11(18)9-10/h4-9,13H,3,20H2,1-2H3/t13-/m1/s1
PDB
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US Patent
n/an/a 2.40E+3n/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))		BDBM183581
PNG
(US9145354, 230)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(O)cc2)c1F |r|
Show InChI InChI=1S/C20H22ClFN2O3/c1-3-16(24-11(2)10-17(23)26)14-8-9-15(21)18(19(14)22)20(27)12-4-6-13(25)7-5-12/h4-9,11,16,24-25H,3,10H2,1-2H3,(H2,23,26)/t11-,16+/m0/s1
PDB
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n/an/a 550n/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
PDB
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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))		BDBM183607
PNG
(US9145354, 269)
Show SMILES CC(C)C[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C21H26ClFN4O2/c1-11(2)8-16(27-12(3)9-18(25)28)14-5-6-15(22)19(20(14)23)21(29)13-4-7-17(24)26-10-13/h4-7,10-12,16,27H,8-9H2,1-3H3,(H2,24,26)(H2,25,28)/t12-,16+/m0/s1
PDB
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n/an/a 1.10E+3n/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
PDB
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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))		BDBM60692
PNG
(US9145354, 166)
Show SMILES CC[C@@H](N[C@H](C)CO)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
Show InChI InChI=1S/C18H20ClFN2O2/c1-3-15(22-11(2)10-23)13-6-7-14(19)16(17(13)20)18(24)12-5-4-8-21-9-12/h4-9,11,15,22-23H,3,10H2,1-2H3/t11-,15-/m1/s1
PDB
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n/an/a 6.30E+3n/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))		BDBM60695
PNG
(US9145354, 181)
Show SMILES CC[C@H](NCCC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C18H20ClFN4O2/c1-2-13(23-8-7-15(22)25)11-4-5-12(19)16(17(11)20)18(26)10-3-6-14(21)24-9-10/h3-6,9,13,23H,2,7-8H2,1H3,(H2,21,24)(H2,22,25)/t13-/m0/s1
PDB
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n/an/a 260n/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))		BDBM60696
PNG
(US9145354, 187)
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-/m1/s1
PDB
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n/an/a 660n/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))		BDBM60709
PNG
(US9145354, 225)
Show SMILES CC[C@@H](CC(N)=O)N[C@H](CC)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C20H24ClFN4O2/c1-3-12(9-17(24)27)26-15(4-2)13-6-7-14(21)18(19(13)22)20(28)11-5-8-16(23)25-10-11/h5-8,10,12,15,26H,3-4,9H2,1-2H3,(H2,23,25)(H2,24,27)/t12-,15+/m0/s1
PDB
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n/an/a 350n/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))		BDBM60710
PNG
(US9145354, 226)
Show SMILES CC[C@H](CC(N)=O)N[C@H](CC)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C20H24ClFN4O2/c1-3-12(9-17(24)27)26-15(4-2)13-6-7-14(21)18(19(13)22)20(28)11-5-8-16(23)25-10-11/h5-8,10,12,15,26H,3-4,9H2,1-2H3,(H2,23,25)(H2,24,27)/t12-,15-/m1/s1
PDB
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n/an/a 1.10E+3n/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))		BDBM60711
PNG
(BDBM183580 | US9145354, 228)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc3OCC(=O)Nc3n2)c1F |r|
Show InChI InChI=1S/C21H22ClFN4O4/c1-3-13(25-10(2)8-16(24)28)11-4-5-12(22)18(19(11)23)20(30)14-6-7-15-21(26-14)27-17(29)9-31-15/h4-7,10,13,25H,3,8-9H2,1-2H3,(H2,24,28)(H,26,27,29)/t10-,13+/m0/s1
PDB
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n/an/a 730n/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))		BDBM60670
PNG
(BDBM183479 | US9145354, 266 | US9145354, 83)
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-/m1/s1
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n/an/a 1.10E+3n/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))		BDBM60725
PNG
(US9145354, 271)
Show SMILES C[C@H](CC(N)=O)N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccc3NC(=O)COc3c2)c1F |r|
Show InChI InChI=1S/C23H23ClFN3O4/c1-11(8-18(26)29)27-22(12-2-3-12)14-5-6-15(24)20(21(14)25)23(31)13-4-7-16-17(9-13)32-10-19(30)28-16/h4-7,9,11-12,22,27H,2-3,8,10H2,1H3,(H2,26,29)(H,28,30)/t11-,22-/m1/s1
PDB
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n/an/a 1.10E+3n/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))		BDBM183638
PNG
(US9145354, 305)
Show SMILES CC[C@@H](N[C@@H](C)c1cnc[nH]1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
PDB
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n/an/a 1.10E+3n/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))		BDBM183406
PNG
(US9145354, 2)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
Show InChI InChI=1S/C15H14ClFN2O/c1-2-12(18)10-5-6-11(16)13(14(10)17)15(20)9-4-3-7-19-8-9/h3-8,12H,2,18H2,1H3/t12-/m1/s1
PDB
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n/an/a 1.40E+3n/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
PDB
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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))		BDBM183420
PNG
(US9145354, 16)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccns2)c1F |r|
Show InChI InChI=1S/C13H12ClFN2OS/c1-2-9(16)7-3-4-8(14)11(12(7)15)13(18)10-5-6-17-19-10/h3-6,9H,2,16H2,1H3/t9-/m1/s1
PDB
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n/an/a 470n/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
MMDB

UniProtKB/SwissProt

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DrugBank
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UniChem

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US Patent
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))		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
PDB
MMDB

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US Patent
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))		BDBM183517
PNG
(US9145354, 138)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cnc(N)cn2)c1F |r|
Show InChI InChI=1S/C18H21ClFN5O2/c1-3-12(25-9(2)6-15(22)26)10-4-5-11(19)16(17(10)20)18(27)13-7-24-14(21)8-23-13/h4-5,7-9,12,25H,3,6H2,1-2H3,(H2,21,24)(H2,22,26)/t9-,12+/m0/s1
PDB
MMDB

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US Patent
n/an/a 310n/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))		BDBM183533
PNG
(US9145354, 162)
Show SMILES CC[C@@H](NCCC(N)=O)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
Show InChI InChI=1S/C18H19ClFN3O2/c1-2-14(23-9-7-15(21)24)12-5-6-13(19)16(17(12)20)18(25)11-4-3-8-22-10-11/h3-6,8,10,14,23H,2,7,9H2,1H3,(H2,21,24)/t14-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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US Patent
n/an/a 590n/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))		BDBM183573
PNG
(US9145354, 215)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(OC)c(c2)C#N)c1F |r|
Show InChI InChI=1S/C22H23ClFN3O3/c1-4-17(27-12(2)9-19(26)28)15-6-7-16(23)20(21(15)24)22(29)13-5-8-18(30-3)14(10-13)11-25/h5-8,10,12,17,27H,4,9H2,1-3H3,(H2,26,28)/t12-,17+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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US Patent
n/an/a 1.20E+3n/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
PDB
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US Patent
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))		BDBM183598
PNG
(US9145354, 254)
Show SMILES C[C@H](CC(N)=O)N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccc(N)cn2)c1F |r|
Show InChI InChI=1S/C20H22ClFN4O2/c1-10(8-16(24)27)26-19(11-2-3-11)13-5-6-14(21)17(18(13)22)20(28)15-7-4-12(23)9-25-15/h4-7,9-11,19,26H,2-3,8,23H2,1H3,(H2,24,27)/t10-,19-/m1/s1
PDB
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UniProtKB/SwissProt

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n/an/a 1.80E+3n/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
PDB
MMDB

UniProtKB/SwissProt

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GoogleScholar
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PC sid
UniChem

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US Patent
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
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* indicates data uncertainty>20%