new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 305 hits of ec50 for UniProtKB: P27958   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65581
PNG
(US9693997, 1)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C25H28ClF3N6O4S/c1-24(2,3)39-23(36)35-10-8-17(9-11-35)40(37,38)16-6-4-14(5-7-16)20-18(25(27,28)29)12-15(13-19(20)26)31-22-32-21(30)33-34-22/h4-7,12-13,17H,8-11H2,1-3H3,(H4,30,31,32,33,34)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70703
PNG
(US9693997, 221)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
Show InChI InChI=1S/C26H31ClF3N7O5S/c1-25(2,3)42-24(38)37-9-7-15(8-10-37)36-43(39,40)20-11-14(5-6-19(20)41-4)21-17(26(28,29)30)12-16(13-18(21)27)32-23-33-22(31)34-35-23/h5-6,11-13,15,36H,7-10H2,1-4H3,(H4,31,32,33,34,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70697
PNG
(US9693997, 216)
Show SMILES COc1ccc(cc1S(=O)(=O)NC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;;;;;HN;;;;;;;;;$|
Show InChI InChI=1S/C20H22ClF3N6O3S/c1-19(2,3)30-34(31,32)15-7-10(5-6-14(15)33-4)16-12(20(22,23)24)8-11(9-13(16)21)26-18-27-17(25)28-29-18/h5-9,30H,1-4H3,(H4,25,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70634
PNG
(US9693997, 164)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |$;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
Show InChI InChI=1S/C18H20Cl2N6O2S/c1-18(2,3)26-29(27,28)12-6-4-10(5-7-12)15-13(19)8-11(9-14(15)20)22-17-23-16(21)24-25-17/h4-9,26H,1-3H3,(H4,21,22,23,24,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70721
PNG
(US9693997, 234)
Show SMILES COc1ccc(cc1S(=O)(=O)N(CC(F)(F)F)C1CCNCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
Show InChI InChI=1S/C23H24ClF6N7O3S/c1-40-17-3-2-12(8-18(17)41(38,39)37(11-22(25,26)27)14-4-6-32-7-5-14)19-15(23(28,29)30)9-13(10-16(19)24)33-21-34-20(31)35-36-21/h2-3,8-10,14,32H,4-7,11H2,1H3,(H4,31,33,34,35,36)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70486
PNG
(US9693997, 136)
Show SMILES CC(C)(C)CCNCCOc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;HN;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C23H28ClF3N6O/c1-22(2,3)8-9-29-10-11-34-16-6-4-14(5-7-16)19-17(23(25,26)27)12-15(13-18(19)24)30-21-31-20(28)32-33-21/h4-7,12-13,29H,8-11H2,1-3H3,(H4,28,30,31,32,33)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70633
PNG
(US9693997, 163)
Show SMILES COc1cc(ccc1S(=O)(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C26H31ClF3N7O5S/c1-25(2,3)42-24(38)37-9-7-15(8-10-37)36-43(39,40)20-6-5-14(11-19(20)41-4)21-17(26(28,29)30)12-16(13-18(21)27)32-23-33-22(31)34-35-23/h5-6,11-13,15,36H,7-10H2,1-4H3,(H4,31,32,33,34,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70636
PNG
(US9693997, 166)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C25H29ClF3N7O5S/c1-24(2,3)41-23(37)35-7-9-36(10-8-35)42(38,39)19-11-14(5-6-18(19)40-4)20-16(25(27,28)29)12-15(13-17(20)26)31-22-32-21(30)33-34-22/h5-6,11-13H,7-10H2,1-4H3,(H4,30,31,32,33,34)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70689
PNG
(US9693997, 209)
Show SMILES CN(CCNS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F)C(=O)OC(C)(C)C |$;;;;HN;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C23H27ClF3N7O4S/c1-22(2,3)38-21(35)34(4)10-9-29-39(36,37)15-7-5-13(6-8-15)18-16(23(25,26)27)11-14(12-17(18)24)30-20-31-19(28)32-33-20/h5-8,11-12,29H,9-10H2,1-4H3,(H4,28,30,31,32,33)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65586
PNG
(US9693997, 5)
Show SMILES CC(C)(C)CCN1CCC(CC1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C26H32ClF3N6O2S/c1-25(2,3)10-13-36-11-8-19(9-12-36)39(37,38)18-6-4-16(5-7-18)22-20(26(28,29)30)14-17(15-21(22)27)32-24-33-23(31)34-35-24/h4-7,14-15,19H,8-13H2,1-3H3,(H4,31,32,33,34,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70699
PNG
(US9693997, 218)
Show SMILES COc1ccc(cc1S(=O)(=O)NC(C)(C)CO)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C20H22ClF3N6O4S/c1-19(2,9-31)30-35(32,33)15-6-10(4-5-14(15)34-3)16-12(20(22,23)24)7-11(8-13(16)21)26-18-27-17(25)28-29-18/h4-8,30-31H,9H2,1-3H3,(H4,25,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65583
PNG
(US9693997, 2)
Show SMILES CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2ccc(cc2)-c2c(Cl)cc(Nc3n[nH]c(N)n3)cc2C(F)(F)F)C1
Show InChI InChI=1/C26H30ClF3N6O4S/c1-25(2,3)40-24(37)36-10-4-5-15(13-36)14-41(38,39)18-8-6-16(7-9-18)21-19(26(28,29)30)11-17(12-20(21)27)32-23-33-22(31)34-35-23/h6-9,11-12,15H,4-5,10,13-14H2,1-3H3,(H4,31,32,33,34,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65584
PNG
(US9693997, 3)
Show SMILES CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |r|
Show InChI InChI=1/C24H26ClF3N6O4S/c1-23(2,3)38-20(35)18-5-4-10-34(18)39(36,37)15-8-6-13(7-9-15)19-16(24(26,27)28)11-14(12-17(19)25)30-22-31-21(29)32-33-22/h6-9,11-12,18H,4-5,10H2,1-3H3,(H4,29,30,31,32,33)/t18-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65585
PNG
(US9693997, 4)
Show SMILES Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)C3CCN(CCC(F)(F)F)CC3)c(c2)C(F)(F)F)n[nH]1
Show InChI InChI=1S/C23H23ClF6N6O2S/c24-18-12-14(32-21-33-20(31)34-35-21)11-17(23(28,29)30)19(18)13-1-3-15(4-2-13)39(37,38)16-5-8-36(9-6-16)10-7-22(25,26)27/h1-4,11-12,16H,5-10H2,(H4,31,32,33,34,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70692
PNG
(US9693997, 212)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1(C)CN(C1)C(=O)OC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C25H29ClF3N7O5S/c1-23(2,3)41-22(37)36-11-24(4,12-36)35-42(38,39)18-8-13(6-7-17(18)40-5)19-15(25(27,28)29)9-14(10-16(19)26)31-21-32-20(30)33-34-21/h6-10,35H,11-12H2,1-5H3,(H4,30,31,32,33,34)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70680
PNG
(US9693997, 203)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C20H20ClF3N6O3S/c1-33-15-5-4-11(8-16(15)34(31,32)30-6-2-3-7-30)17-13(20(22,23)24)9-12(10-14(17)21)26-19-27-18(25)28-29-19/h4-5,8-10H,2-3,6-7H2,1H3,(H4,25,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 8n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65660
PNG
(US9693997, 59)
Show SMILES CC(C)(C)OC(=O)N1CC(C1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
Show InChI InChI=1S/C23H24ClF3N6O4S/c1-22(2,3)37-21(34)33-10-15(11-33)38(35,36)14-6-4-12(5-7-14)18-16(23(25,26)27)8-13(9-17(18)24)29-20-30-19(28)31-32-20/h4-9,15H,10-11H2,1-3H3,(H4,28,29,30,31,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 8n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65588
PNG
(US9693997, 6)
Show SMILES CC(C)(C)OC(=O)N1CCCC(C1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1/C25H28ClF3N6O4S/c1-24(2,3)39-23(36)35-10-4-5-17(13-35)40(37,38)16-8-6-14(7-9-16)20-18(25(27,28)29)11-15(12-19(20)26)31-22-32-21(30)33-34-22/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H4,30,31,32,33,34)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 8n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70637
PNG
(US9693997, 167)
Show SMILES COc1cc(ccc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |r,wU:12.12,wD:15.16,$;;;;;;;;;;;HN;;;;;;;;;;;;;HN;;;;;;;;;;;;$,(3.65,2.7,;3.65,1.16,;2.31,.39,;.98,1.15,;-.35,.38,;-.35,-1.15,;.98,-1.92,;2.31,-1.15,;3.65,-1.92,;3.65,-3.46,;2.31,-2.69,;4.98,-1.15,;6.47,-1.55,;7.56,-.46,;9.05,-.86,;9.44,-2.35,;10.93,-2.75,;8.36,-3.44,;6.87,-3.04,;-1.69,1.15,;-1.69,2.69,;-.35,3.46,;-3.02,3.46,;-4.35,2.69,;-5.69,3.46,;-7.02,2.69,;-7.02,1.15,;-8.49,.68,;-9.39,1.92,;-10.93,1.92,;-8.49,3.17,;-4.35,1.15,;-3.02,.38,;-3.02,-1.16,;-4.35,-1.93,;-4.51,-.76,;-1.69,-1.93,)|
Show InChI InChI=1/C22H24ClF3N6O4S/c1-36-17-8-11(2-7-18(17)37(34,35)32-12-3-5-14(33)6-4-12)19-15(22(24,25)26)9-13(10-16(19)23)28-21-29-20(27)30-31-21/h2,7-10,12,14,32-33H,3-6H2,1H3,(H4,27,28,29,30,31)/t12-,14-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 9n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70635
PNG
(US9693997, 165)
Show SMILES CC(C)(NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F)C(F)(F)F |$;;;HN;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C19H17ClF6N6O2S/c1-17(2,19(24,25)26)32-35(33,34)11-5-3-9(4-6-11)14-12(18(21,22)23)7-10(8-13(14)20)28-16-29-15(27)30-31-16/h3-8,32H,1-2H3,(H4,27,28,29,30,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 9n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70638
PNG
(US9693997, 168)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCOCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C21H22ClF3N6O4S/c1-34-16-3-2-11(8-17(16)36(32,33)31-12-4-6-35-7-5-12)18-14(21(23,24)25)9-13(10-15(18)22)27-20-28-19(26)29-30-20/h2-3,8-10,12,31H,4-7H2,1H3,(H4,26,27,28,29,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 11n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70639
PNG
(US9693997, 169)
Show SMILES Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)NC3CC3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C18H16ClF3N6O2S/c19-14-8-11(24-17-25-16(23)26-27-17)7-13(18(20,21)22)15(14)9-1-5-12(6-2-9)31(29,30)28-10-3-4-10/h1-2,5-8,10,28H,3-4H2,(H4,23,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 11n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70472
PNG
(US9693997, 128)
Show SMILES CN(C(=O)OC(C)(C)C)C(C)(C)COc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C25H30ClF3N6O3/c1-23(2,3)38-22(36)35(6)24(4,5)13-37-16-9-7-14(8-10-16)19-17(25(27,28)29)11-15(12-18(19)26)31-21-32-20(30)33-34-21/h7-12H,13H2,1-6H3,(H4,30,31,32,33,34)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 11n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70682
PNG
(US9693997, 205)
Show SMILES CC(C)(C)OC(=O)N1CC(C)(C1)NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;HN;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C24H27ClF3N7O4S/c1-22(2,3)39-21(36)35-11-23(4,12-35)34-40(37,38)15-7-5-13(6-8-15)18-16(24(26,27)28)9-14(10-17(18)25)30-20-31-19(29)32-33-20/h5-10,34H,11-12H2,1-4H3,(H4,29,30,31,32,33)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 11n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70681
PNG
(US9693997, 204)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCNCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C21H23ClF3N7O3S/c1-35-16-3-2-11(8-17(16)36(33,34)32-12-4-6-27-7-5-12)18-14(21(23,24)25)9-13(10-15(18)22)28-20-29-19(26)30-31-20/h2-3,8-10,12,27,32H,4-7H2,1H3,(H4,26,28,29,30,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 11n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70690
PNG
(US9693997, 210 | US9693997, 211)
Show SMILES CC(C)N1CC(C)(C1)NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C22H25ClF3N7O2S/c1-12(2)33-10-21(3,11-33)32-36(34,35)15-6-4-13(5-7-15)18-16(22(24,25)26)8-14(9-17(18)23)28-20-29-19(27)30-31-20/h4-9,12,32H,10-11H2,1-3H3,(H4,27,28,29,30,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 12n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70722
PNG
(US9693997, 235)
Show SMILES Nc1nc(Nc2cc(Cl)c(-c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)c(c2)C(F)(F)F)n[nH]1
Show InChI InChI=1S/C22H20ClF5N6O/c23-16-10-14(31-20-32-19(29)33-34-20)9-15(22(26,27)28)17(16)11-1-3-13(4-2-11)30-18(35)12-5-7-21(24,25)8-6-12/h1-4,9-10,12H,5-8H2,(H,30,35)(H4,29,31,32,33,34)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 12n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70748
PNG
(US9693997, 250)
Show SMILES Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)n[nH]1
Show InChI InChI=1S/C21H20Cl2F2N6O/c22-15-9-14(28-20-29-19(26)30-31-20)10-16(23)17(15)11-1-3-13(4-2-11)27-18(32)12-5-7-21(24,25)8-6-12/h1-4,9-10,12H,5-8H2,(H,27,32)(H4,26,28,29,30,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 13n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70459
PNG
(US9693997, 118)
Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |$;HN;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C15H14Cl2N6O2S/c1-19-26(24,25)10-4-2-8(3-5-10)13-11(16)6-9(7-12(13)17)20-15-21-14(18)22-23-15/h2-7,19H,1H3,(H4,18,20,21,22,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 13n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65663
PNG
(US9693997, 61)
Show SMILES CC(C)CCS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
Show InChI InChI=1S/C20H21ClF3N5O2S/c1-11(2)7-8-32(30,31)14-5-3-12(4-6-14)17-15(20(22,23)24)9-13(10-16(17)21)26-19-27-18(25)28-29-19/h3-6,9-11H,7-8H2,1-2H3,(H4,25,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 13n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65590
PNG
(US9693997, 8)
Show SMILES CC(C)(C)NC(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C19H20Cl2N6O/c1-19(2,3)25-16(28)11-6-4-10(5-7-11)15-13(20)8-12(9-14(15)21)23-18-24-17(22)26-27-18/h4-9H,1-3H3,(H,25,28)(H4,22,23,24,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 13n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70706
PNG
(US9693997, 222)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCNCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;;;;;;;HN;;;;;;;;;$|
Show InChI InChI=1S/C21H23ClF3N7O3S/c1-35-16-3-2-11(8-17(16)36(33,34)32-12-4-6-27-7-5-12)18-14(21(23,24)25)9-13(10-15(18)22)28-20-29-19(26)30-31-20/h2-3,8-10,12,27,32H,4-7H2,1H3,(H4,26,28,29,30,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 14n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70438
PNG
(US9693997, 108)
Show SMILES Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2cccc(c2)C(F)(F)F)n[nH]1
Show InChI InChI=1S/C15H10Cl2F3N5/c16-10-5-9(22-14-23-13(21)24-25-14)6-11(17)12(10)7-2-1-3-8(4-7)15(18,19)20/h1-6H,(H4,21,22,23,24,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 14n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65661
PNG
(US9693997, 60)
Show SMILES CC1(COC1)NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
Show InChI InChI=1S/C19H18ClF3N6O3S/c1-18(8-32-9-18)29-33(30,31)12-4-2-10(3-5-12)15-13(19(21,22)23)6-11(7-14(15)20)25-17-26-16(24)27-28-17/h2-7,29H,8-9H2,1H3,(H4,24,25,26,27,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 14n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65591
PNG
(US9693997, 9)
Show SMILES CCCCC(=O)Nc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |$;;;;;;HN;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C19H20Cl2N6O/c1-2-3-4-16(28)23-12-7-5-11(6-8-12)17-14(20)9-13(10-15(17)21)24-19-25-18(22)26-27-19/h5-10H,2-4H2,1H3,(H,23,28)(H4,22,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 14n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65592
PNG
(US9693997, 10)
Show SMILES CC(C)(C)N1Cc2ccc(cc2S1(=O)=O)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C20H20ClF3N6O2S/c1-19(2,3)30-9-11-5-4-10(6-15(11)33(30,31)32)16-13(20(22,23)24)7-12(8-14(16)21)26-18-27-17(25)28-29-18/h4-8H,9H2,1-3H3,(H4,25,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 15n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70686
PNG
(US9693997, 206)
Show SMILES CC1(CC1)NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
Show InChI InChI=1S/C19H18ClF3N6O2S/c1-18(6-7-18)29-32(30,31)12-4-2-10(3-5-12)15-13(19(21,22)23)8-11(9-14(15)20)25-17-26-16(24)27-28-17/h2-5,8-9,29H,6-7H2,1H3,(H4,24,25,26,27,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 17n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70478
PNG
(US9693997, 129)
Show SMILES CC(C)(C)OC(=O)N1CCCC(C1)Oc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1/C25H28ClF3N6O3/c1-24(2,3)38-23(36)35-10-4-5-17(13-35)37-16-8-6-14(7-9-16)20-18(25(27,28)29)11-15(12-19(20)26)31-22-32-21(30)33-34-22/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H4,30,31,32,33,34)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 17n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65594
PNG
(US9693997, 11)
Show SMILES Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)C3CCCN(CCC(F)(F)F)C3)c(c2)C(F)(F)F)n[nH]1
Show InChI InChI=1/C23H23ClF6N6O2S/c24-18-11-14(32-21-33-20(31)34-35-21)10-17(23(28,29)30)19(18)13-3-5-15(6-4-13)39(37,38)16-2-1-8-36(12-16)9-7-22(25,26)27/h3-6,10-11,16H,1-2,7-9,12H2,(H4,31,32,33,34,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 17n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65589
PNG
(US9693997, 7)
Show SMILES CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccc(cc2)-c2c(Cl)cc(Nc3n[nH]c(N)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30ClF3N6O4S/c1-25(2,3)40-24(37)36-10-8-15(9-11-36)14-41(38,39)18-6-4-16(5-7-18)21-19(26(28,29)30)12-17(13-20(21)27)32-23-33-22(31)34-35-23/h4-7,12-13,15H,8-11,14H2,1-3H3,(H4,31,32,33,34,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 17n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70648
PNG
(US9693997, 175)
Show SMILES COc1ccc(cc1S(=O)(=O)NCCO)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C18H18ClF3N6O4S/c1-32-13-3-2-9(6-14(13)33(30,31)24-4-5-29)15-11(18(20,21)22)7-10(8-12(15)19)25-17-26-16(23)27-28-17/h2-3,6-8,24,29H,4-5H2,1H3,(H4,23,25,26,27,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 18n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65667
PNG
(US9693997, 63)
Show SMILES CC1(O)CN(C1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
Show InChI InChI=1S/C19H18ClF3N6O3S/c1-18(30)8-29(9-18)33(31,32)12-4-2-10(3-5-12)15-13(19(21,22)23)6-11(7-14(15)20)25-17-26-16(24)27-28-17/h2-7,30H,8-9H2,1H3,(H4,24,25,26,27,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 18n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70651
PNG
(US9693997, 177)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C20H20ClF3N6O4S/c1-33-15-3-2-11(8-16(15)35(31,32)30-4-6-34-7-5-30)17-13(20(22,23)24)9-12(10-14(17)21)26-19-27-18(25)28-29-19/h2-3,8-10H,4-7H2,1H3,(H4,25,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 18n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70649
PNG
(US9693997, 176)
Show SMILES CC(C)(C)NS(=O)(=O)c1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C19H20ClF3N6O2S/c1-18(2,3)29-32(30,31)12-6-4-5-10(7-12)15-13(19(21,22)23)8-11(9-14(15)20)25-17-26-16(24)27-28-17/h4-9,29H,1-3H3,(H4,24,25,26,27,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 19n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70646
PNG
(US9693997, 173)
Show SMILES Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N[C@H]3C[C@H](O)C3)c(c2)C(F)(F)F)n[nH]1 |r,wU:22.23,wD:20.20,$;;;;HN;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;$,(-9.04,3.89,;-7.5,3.89,;-6.6,5.14,;-5.13,4.66,;-3.8,5.43,;-2.47,4.66,;-1.13,5.43,;.2,4.66,;1.53,5.43,;.2,3.12,;1.53,2.35,;1.53,.81,;2.87,.04,;4.2,.81,;4.2,2.35,;2.87,3.12,;5.54,.04,;6.87,.81,;5.54,-1.5,;7.31,-.35,;7.71,-1.84,;6.94,-3.18,;8.27,-3.95,;8.67,-5.43,;9.04,-2.61,;-1.13,2.35,;-2.47,3.12,;-1.13,.81,;.2,.04,;-2.47,.04,;-2.62,1.21,;-5.13,3.12,;-6.6,2.65,)|
Show InChI InChI=1/C19H18ClF3N6O3S/c20-15-8-10(25-18-26-17(24)27-28-18)7-14(19(21,22)23)16(15)9-1-3-13(4-2-9)33(31,32)29-11-5-12(30)6-11/h1-4,7-8,11-12,29-30H,5-6H2,(H4,24,25,26,27,28)/t11-,12-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 19n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70653
PNG
(US9693997, 179)
Show SMILES COc1cc(ccc1S(=O)(=O)NC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C20H22ClF3N6O3S/c1-19(2,3)30-34(31,32)15-6-5-10(7-14(15)33-4)16-12(20(22,23)24)8-11(9-13(16)21)26-18-27-17(25)28-29-18/h5-9,30H,1-4H3,(H4,25,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 20n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65664
PNG
(US9693997, 62)
Show SMILES Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N3CCC(F)(F)C3)c(c2)C(F)(F)F)n[nH]1 |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN$|
Show InChI InChI=1S/C19H16ClF5N6O2S/c20-14-8-11(27-17-28-16(26)29-30-17)7-13(19(23,24)25)15(14)10-1-3-12(4-2-10)34(32,33)31-6-5-18(21,22)9-31/h1-4,7-8H,5-6,9H2,(H4,26,27,28,29,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 20n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70709
PNG
(US9693997, 224)
Show SMILES Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N3CC(F)(F)C3)c(c2)C(F)(F)F)n[nH]1 |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN$|
Show InChI InChI=1S/C18H14ClF5N6O2S/c19-13-6-10(26-16-27-15(25)28-29-16)5-12(18(22,23)24)14(13)9-1-3-11(4-2-9)33(31,32)30-7-17(20,21)8-30/h1-6H,7-8H2,(H4,25,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 20n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70690
PNG
(US9693997, 210 | US9693997, 211)
Show SMILES CC(C)N1CC(C)(C1)NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
Show InChI InChI=1S/C22H25ClF3N7O2S/c1-12(2)33-10-21(3,11-33)32-36(34,35)15-6-4-13(5-7-15)18-16(22(24,25)26)8-14(9-17(18)23)28-20-29-19(27)30-31-20/h4-9,12,32H,10-11H2,1-3H3,(H4,27,28,29,30,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 21n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70805
PNG
(US9693997, 295)
Show SMILES Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)NC3COC3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C18H16ClF3N6O3S/c19-14-6-10(24-17-25-16(23)26-27-17)5-13(18(20,21)22)15(14)9-1-3-12(4-2-9)32(29,30)28-11-7-31-8-11/h1-6,11,28H,7-8H2,(H4,23,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 22n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 305 total )  |  Next  |  Last  >>
Jump to: