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Compile Data Set for Download or QSAR

Found 248 hits with Last Name = 'besong' and Initial = 'ge'   
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
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139913
PNG
(US8895745, 375)
Show SMILES Cn1cnc(c1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C20H17F3N6O/c1-28-10-16(26-12-28)13-5-6-29-17(9-24-18(29)8-13)14-3-2-4-15(7-14)27-19(30)25-11-20(21,22)23/h2-10,12H,11H2,1H3,(H2,25,27,30)
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n/an/a 0.490n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139918
PNG
(US8895745, 401)
Show SMILES OCCn1cc(cn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C21H19F3N6O2/c22-21(23,24)13-26-20(32)28-17-3-1-2-15(8-17)18-11-25-19-9-14(4-5-30(18)19)16-10-27-29(12-16)6-7-31/h1-5,8-12,31H,6-7,13H2,(H2,26,28,32)
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n/an/a 0.704n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139909
PNG
(US8895745, 310)
Show SMILES Cc1nnc(s1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C19H15F3N6OS/c1-11-26-27-17(30-11)13-5-6-28-15(9-23-16(28)8-13)12-3-2-4-14(7-12)25-18(29)24-10-19(20,21)22/h2-9H,10H2,1H3,(H2,24,25,29)
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n/an/a 0.780n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139914
PNG
(US8895745, 378)
Show SMILES Cc1c(nnn1C)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C20H18F3N7O/c1-12-18(27-28-29(12)2)14-6-7-30-16(10-24-17(30)9-14)13-4-3-5-15(8-13)26-19(31)25-11-20(21,22)23/h3-10H,11H2,1-2H3,(H2,25,26,31)
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n/an/a 0.790n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139920
PNG
(US8895745, 412)
Show SMILES Cc1nc(c(C)n1C)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C22H21F3N6O/c1-13-20(28-14(2)30(13)3)16-7-8-31-18(11-26-19(31)10-16)15-5-4-6-17(9-15)29-21(32)27-12-22(23,24)25/h4-11H,12H2,1-3H3,(H2,27,29,32)
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n/an/a 1.24n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139924
PNG
(US8895745, 402)
Show SMILES NCCn1cc(cn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C21H20F3N7O/c22-21(23,24)13-27-20(32)29-17-3-1-2-15(8-17)18-11-26-19-9-14(4-6-31(18)19)16-10-28-30(12-16)7-5-25/h1-4,6,8-12H,5,7,13,25H2,(H2,27,29,32)
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n/an/a 1.60n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139915
PNG
(US8895745, 384)
Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1nncs1
Show InChI InChI=1S/C18H13F3N6OS/c19-18(20,21)9-23-17(28)25-13-3-1-2-11(6-13)14-8-22-15-7-12(4-5-27(14)15)16-26-24-10-29-16/h1-8,10H,9H2,(H2,23,25,28)
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n/an/a 1.90n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139921
PNG
(US8895745, 416)
Show SMILES Cc1cn(cn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C20H17F3N6O/c1-13-10-28(12-26-13)16-5-6-29-17(9-24-18(29)8-16)14-3-2-4-15(7-14)27-19(30)25-11-20(21,22)23/h2-10,12H,11H2,1H3,(H2,25,27,30)
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n/an/a 2.18n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139922
PNG
(US8895745, 421)
Show SMILES Cc1ccc(nn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C21H17F3N6O/c1-13-5-6-17(29-28-13)14-7-8-30-18(11-25-19(30)10-14)15-3-2-4-16(9-15)27-20(31)26-12-21(22,23)24/h2-11H,12H2,1H3,(H2,26,27,31)
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n/an/a 2.60n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139923
PNG
(US8895745, 422)
Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1ncns1
Show InChI InChI=1S/C18H13F3N6OS/c19-18(20,21)9-23-17(28)26-13-3-1-2-11(6-13)14-8-22-15-7-12(4-5-27(14)15)16-24-10-25-29-16/h1-8,10H,9H2,(H2,23,26,28)
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n/an/a 3.30n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139908
PNG
(US8895745, 59)
Show SMILES Fc1ccc(cc1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C22H16F4N4O/c23-17-6-4-14(5-7-17)15-8-9-30-19(12-27-20(30)11-15)16-2-1-3-18(10-16)29-21(31)28-13-22(24,25)26/h1-12H,13H2,(H2,28,29,31)
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n/an/a 3.30n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139917
PNG
(US8895745, 399)
Show SMILES Cc1nsc(n1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C19H15F3N6OS/c1-11-25-17(30-27-11)13-5-6-28-15(9-23-16(28)8-13)12-3-2-4-14(7-12)26-18(29)24-10-19(20,21)22/h2-9H,10H2,1H3,(H2,24,26,29)
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n/an/a 4.74n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139910
PNG
(US8895745, 329)
Show SMILES Cc1nnc(o1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C19H15F3N6O2/c1-11-26-27-17(30-11)13-5-6-28-15(9-23-16(28)8-13)12-3-2-4-14(7-12)25-18(29)24-10-19(20,21)22/h2-9H,10H2,1H3,(H2,24,25,29)
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n/an/a 15.8n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139912
PNG
(US8895745, 359)
Show SMILES CN(N)\N=C(/N)c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C18H19F3N8O/c1-28(23)27-16(22)12-5-6-29-14(9-24-15(29)8-12)11-3-2-4-13(7-11)26-17(30)25-10-18(19,20)21/h2-9H,10,23H2,1H3,(H2,22,27)(H2,25,26,30)
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n/an/a 16.4n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139916
PNG
(US8895745, 396)
Show SMILES CC#Cc1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C19H15F3N4O/c1-2-4-13-7-8-26-16(11-23-17(26)9-13)14-5-3-6-15(10-14)25-18(27)24-12-19(20,21)22/h3,5-11H,12H2,1H3,(H2,24,25,27)
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n/an/a 18.3n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139911
PNG
(US8895745, 354)
Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)C(=N)OC(S)=N
Show InChI InChI=1S/C18H15F3N6O2S/c19-18(20,21)9-25-17(28)26-12-3-1-2-10(6-12)13-8-24-14-7-11(4-5-27(13)14)15(22)29-16(23)30/h1-8,22H,9H2,(H2,23,30)(H2,25,26,28)
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n/an/a 22.2n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139919
PNG
(US8895745, 407)
Show SMILES Cc1nnc(o1)-c1ccn2c(cnc2c1)-c1cncc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C18H14F3N7O2/c1-10-26-27-16(30-10)11-2-3-28-14(8-23-15(28)5-11)12-4-13(7-22-6-12)25-17(29)24-9-18(19,20)21/h2-8H,9H2,1H3,(H2,24,25,29)
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n/an/a 31n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
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
PDB
MMDB

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US Patent
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
PDB
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US Patent
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
PDB
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US Patent
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
PDB
MMDB

UniProtKB/SwissProt

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US Patent
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
PDB
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US Patent
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
PDB
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US Patent
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
PDB
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US Patent
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
PDB
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US Patent
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
PDB
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US Patent
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
PDB
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US Patent
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
PDB
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US Patent
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
PDB
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US Patent
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
PDB
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US Patent
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
PDB
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US Patent
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
PDB
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US Patent
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
PDB
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US Patent
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
PDB
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US Patent
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
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))
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
PDB
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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))
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
PDB
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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))
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
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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))
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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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UniChem

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US Patent
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))
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
MMDB

UniProtKB/SwissProt

B.MOAD
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UniChem

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US Patent
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))
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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC sid
UniChem

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US Patent
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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC sid
UniChem

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US Patent
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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC sid
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US Patent
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
PDB
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UniProtKB/SwissProt

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US Patent
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
PDB
MMDB

UniProtKB/SwissProt

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US Patent
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
PDB
MMDB

UniProtKB/SwissProt

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US Patent
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))
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
PDB
MMDB

UniProtKB/SwissProt

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PC sid
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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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