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PubMed code 19154150

Compile data set for download or QSAR
Found 19 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
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27064
PNG
(2-[(3S,13S,16S,17R,19S)-3-({[(2S)-1-{2,4-dioxo-3-a...)
Show SMILES CC(C)(C)[C@@H](CN1C(=O)C2CCC(C2)C1=O)NC(=O)N[C@H]1COCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C38H58N6O8/c1-7-16-39-32(47)30(45)25-13-11-9-8-10-12-17-52-21-26(35(50)43-19-24-28(38(24,5)6)29(43)31(46)40-25)41-36(51)42-27(37(2,3)4)20-44-33(48)22-14-15-23(18-22)34(44)49/h7,22-29H,1,8-21H2,2-6H3,(H,39,47)(H,40,46)(H2,41,42,51)/t22?,23?,24-,25-,26-,27+,28-,29-/m0/s1
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Article
PubMed
3 -49.5n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27068
PNG
(2-[(3S,4S,13S,16S,17R,19S)-3-({[(2S)-1-{2,4-dioxo-...)
Show SMILES C[C@@H]1OCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@H]1NC(=O)N[C@H](CN1C(=O)C2CCC(C2)C1=O)C(C)(C)C)C3(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C39H60N6O8/c1-8-17-40-33(48)31(46)26-14-12-10-9-11-13-18-53-22(2)29(36(51)44-20-25-28(39(25,6)7)30(44)32(47)41-26)43-37(52)42-27(38(3,4)5)21-45-34(49)23-15-16-24(19-23)35(45)50/h8,22-30H,1,9-21H2,2-7H3,(H,40,48)(H,41,47)(H2,42,43,52)/t22-,23?,24?,25-,26-,27+,28-,29-,30-/m0/s1
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Article
PubMed
3 -49.5n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27066
PNG
(2-[(3S,4S,13S,16S,17R,19S)-3-({[(2S)-3,3-dimethyl-...)
Show SMILES C[C@@H]1OCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@H]1NC(=O)N[C@H](CN1C(=O)CN(C)CC1=O)C(C)(C)C)C3(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C37H59N7O8/c1-9-16-38-33(49)31(47)24-15-13-11-10-12-14-17-52-22(2)29(34(50)44-18-23-28(37(23,6)7)30(44)32(48)39-24)41-35(51)40-25(36(3,4)5)19-43-26(45)20-42(8)21-27(43)46/h9,22-25,28-30H,1,10-21H2,2-8H3,(H,38,49)(H,39,48)(H2,40,41,51)/t22-,23-,24-,25+,28-,29-,30-/m0/s1
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Article
PubMed
6 -47.7n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27067
PNG
(2-[(3S,4S,13S,16S,17R,19S)-3-({[(2S)-1-(4,4-dimeth...)
Show SMILES C[C@@H]1OCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@H]1NC(=O)N[C@H](CN1C(=O)CC(C)(C)CC1=O)C(C)(C)C)C3(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C39H62N6O8/c1-10-17-40-34(50)32(48)25-16-14-12-11-13-15-18-53-23(2)30(35(51)45-21-24-29(39(24,8)9)31(45)33(49)41-25)43-36(52)42-26(37(3,4)5)22-44-27(46)19-38(6,7)20-28(44)47/h10,23-26,29-31H,1,11-22H2,2-9H3,(H,40,50)(H,41,49)(H2,42,43,52)/t23-,24-,25-,26+,29-,30-,31-/m0/s1
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Article
PubMed
7 -47.3n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27063
PNG
(2-[(3S,13S,16S,17R,19S)-3-({[(2S)-1-(4,4-dimethyl-...)
Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)N[C@H]1COCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C38H60N6O8/c1-9-16-39-33(49)31(47)24-15-13-11-10-12-14-17-52-22-25(34(50)44-20-23-29(38(23,7)8)30(44)32(48)40-24)41-35(51)42-26(36(2,3)4)21-43-27(45)18-37(5,6)19-28(43)46/h9,23-26,29-30H,1,10-22H2,2-8H3,(H,39,49)(H,40,48)(H2,41,42,51)/t23-,24-,25-,26+,29-,30-/m0/s1
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Article
PubMed
7 -47.3n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27065
PNG
(2-[(3S,4S,13S,16S,17R,19S)-3-({[(2S)-1-(4,4-dimeth...)
Show SMILES C[C@@H]1OCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@H]1NC(=O)N[C@H](CN1CCC(C)(C)CC1=O)C(C)(C)C)C3(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C39H64N6O7/c1-10-18-40-34(49)32(47)26-16-14-12-11-13-15-20-52-24(2)30(35(50)45-22-25-29(39(25,8)9)31(45)33(48)41-26)43-36(51)42-27(37(3,4)5)23-44-19-17-38(6,7)21-28(44)46/h10,24-27,29-31H,1,11-23H2,2-9H3,(H,40,49)(H,41,48)(H2,42,43,51)/t24-,25-,26-,27+,29-,30-,31-/m0/s1
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Article
PubMed
8 -47.0n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27061
PNG
(2-[(3S,13S,16S,17R,19S)-3-({[(2S)-3,3-dimethyl-1-[...)
Show SMILES CN(C[C@@H](NC(=O)N[C@H]1COCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C)C(C)(C)C)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C36H56N6O8S2/c1-8-17-37-32(45)30(43)24-15-12-10-9-11-13-18-50-22-25(33(46)42-20-23-28(36(23,5)6)29(42)31(44)38-24)39-34(47)40-26(35(2,3)4)21-41(7)52(48,49)27-16-14-19-51-27/h8,14,16,19,23-26,28-29H,1,9-13,15,17-18,20-22H2,2-7H3,(H,37,45)(H,38,44)(H2,39,40,47)/t23-,24-,25-,26+,28-,29-/m0/s1
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Article
PubMed
14 -45.6n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27062
PNG
(2-[(3S,13S,16S,17R,19S)-3-({[(2S)-3,3-dimethyl-1-(...)
Show SMILES CN1CC(=O)N(C[C@@H](NC(=O)N[C@H]2COCCCCCCC[C@H](NC(=O)[C@@H]3[C@@H]4[C@H](CN3C2=O)C4(C)C)C(=O)C(=O)NCC=C)C(C)(C)C)C(=O)C1
Show InChI InChI=1S/C36H57N7O8/c1-8-15-37-32(48)30(46)23-14-12-10-9-11-13-16-51-21-24(33(49)43-17-22-28(36(22,5)6)29(43)31(47)38-23)39-34(50)40-25(35(2,3)4)18-42-26(44)19-41(7)20-27(42)45/h8,22-25,28-29H,1,9-21H2,2-7H3,(H,37,48)(H,38,47)(H2,39,40,50)/t22-,23-,24-,25+,28-,29-/m0/s1
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Article
PubMed
15 -45.4n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27060
PNG
(2-[(3S,13S,16S,17R,19S)-3-({[(2S)-1-[ethane(methyl...)
Show SMILES CCS(=O)(=O)N(C)C[C@@H](NC(=O)N[C@H]1COCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C)C(C)(C)C
Show InChI InChI=1S/C34H58N6O8S/c1-9-17-35-30(43)28(41)23-16-14-12-11-13-15-18-48-21-24(31(44)40-19-22-26(34(22,6)7)27(40)29(42)36-23)37-32(45)38-25(33(3,4)5)20-39(8)49(46,47)10-2/h9,22-27H,1,10-21H2,2-8H3,(H,35,43)(H,36,42)(H2,37,38,45)/t22-,23-,24-,25+,26-,27-/m0/s1
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Article
PubMed
18 -44.9n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27058
PNG
(2-[(3S,13S,16S,17R,19S)-3-({[(2S)-3,3-dimethyl-1-(...)
Show SMILES CC(C)(C)[C@@H](CN1CCCCC1=O)NC(=O)N[C@H]1COCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C36H58N6O7/c1-7-17-37-32(46)30(44)24-15-11-9-8-10-14-19-49-22-25(33(47)42-20-23-28(36(23,5)6)29(42)31(45)38-24)39-34(48)40-26(35(2,3)4)21-41-18-13-12-16-27(41)43/h7,23-26,28-29H,1,8-22H2,2-6H3,(H,37,46)(H,38,45)(H2,39,40,48)/t23-,24-,25-,26+,28-,29-/m0/s1
PDB
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Article
PubMed
21 -44.6n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27059
PNG
(2-[(3S,13S,16S,17R,19S)-3-({[(2S)-1-(4,4-dimethyl-...)
Show SMILES CC(C)(C)[C@@H](CN1CCC(C)(C)CC1=O)NC(=O)N[C@H]1COCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C38H62N6O7/c1-9-17-39-33(48)31(46)25-15-13-11-10-12-14-19-51-23-26(34(49)44-21-24-29(38(24,7)8)30(44)32(47)40-25)41-35(50)42-27(36(2,3)4)22-43-18-16-37(5,6)20-28(43)45/h9,24-27,29-30H,1,10-23H2,2-8H3,(H,39,48)(H,40,47)(H2,41,42,50)/t24-,25-,26-,27+,29-,30-/m0/s1
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Article
PubMed
21 -44.6n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27055
PNG
(Macrocyclic Peptidomimetic, 23 | tert-butyl N-[(3S...)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C30H48N4O6/c1-7-17-31-26(37)24(35)20-15-13-11-9-8-10-12-14-16-21(33-28(39)40-29(2,3)4)27(38)34-18-19-22(30(19,5)6)23(34)25(36)32-20/h7,19-23H,1,8-18H2,2-6H3,(H,31,37)(H,32,36)(H,33,39)/t19-,20-,21-,22-,23-/m0/s1
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Article
PubMed
36 -43.2n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27054
PNG
(Macrocyclic Peptidomimetic, 22 | tert-butyl N-[(3S...)
Show SMILES CC(C)(C)OC(=O)N[C@H]1COCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C29H46N4O7/c1-7-14-30-25(36)23(34)19-13-11-9-8-10-12-15-39-17-20(32-27(38)40-28(2,3)4)26(37)33-16-18-21(29(18,5)6)22(33)24(35)31-19/h7,18-22H,1,8-17H2,2-6H3,(H,30,36)(H,31,35)(H,32,38)/t18-,19-,20-,21-,22-/m0/s1
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Article
PubMed
150 -39.6n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27057
PNG
(2-[(3S,13S,16S,17R,19S)-3-({[(1S)-1-cyclohexyl-2-c...)
Show SMILES CC1(C)[C@H]2CN3[C@@H]([C@@H]12)C(=O)N[C@@H](CCCCCCCOC[C@H](NC(=O)N[C@@H](C1CCCCC1)C(=O)C1CC1)C3=O)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C36H55N5O7/c1-4-18-37-33(45)31(43)25-15-11-6-5-7-12-19-48-21-26(34(46)41-20-24-27(36(24,2)3)29(41)32(44)38-25)39-35(47)40-28(30(42)23-16-17-23)22-13-9-8-10-14-22/h4,22-29H,1,5-21H2,2-3H3,(H,37,45)(H,38,44)(H2,39,40,47)/t24-,25-,26-,27-,28-,29-/m0/s1
PDB
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UniProtKB/SwissProt

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Article
PubMed
160 -39.4n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27053
PNG
(Macrocyclic Peptidomimetic, 21 | tert-butyl N-[(3S...)
Show SMILES CC(C)(C)OC(=O)N[C@@H]1C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@@H](CCCCCCCCCC1(C)C)C(=O)C(N)=O)C3(C)C
Show InChI InChI=1S/C30H50N4O6/c1-28(2,3)40-27(39)33-23-26(38)34-17-18-20(30(18,6)7)21(34)25(37)32-19(22(35)24(31)36)15-13-11-9-8-10-12-14-16-29(23,4)5/h18-21,23H,8-17H2,1-7H3,(H2,31,36)(H,32,37)(H,33,39)/t18-,19-,20-,21-,23+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
250 -38.3n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27052
PNG
(Macrocyclic Peptidomimetic, 20 | tert-butyl N-[(3S...)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CCC(=O)CCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C30H46N4O7/c1-7-16-31-26(38)24(36)20-13-11-9-8-10-12-18(35)14-15-21(33-28(40)41-29(2,3)4)27(39)34-17-19-22(30(19,5)6)23(34)25(37)32-20/h7,19-23H,1,8-17H2,2-6H3,(H,31,38)(H,32,37)(H,33,40)/t19-,20-,21-,22-,23-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
320 -37.7n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27056
PNG
(2-[(3S,13S,16S,17R,19S)-3-formamido-18,18-dimethyl...)
Show SMILES CC1(C)[C@H]2CN3[C@@H]([C@@H]12)C(=O)N[C@@H](CCCCCCCOC[C@H](NC=O)C3=O)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C25H38N4O6/c1-4-11-26-23(33)21(31)17-10-8-6-5-7-9-12-35-14-18(27-15-30)24(34)29-13-16-19(25(16,2)3)20(29)22(32)28-17/h4,15-20H,1,5-14H2,2-3H3,(H,26,33)(H,27,30)(H,28,32)/t16-,17-,18-,19-,20-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
400 -37.1n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27051
PNG
(Macrocyclic Peptidomimetic, 19 | tert-butyl N-[(3S...)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C29H45N5O8/c1-7-13-30-24(37)22(35)18-11-8-9-14-31-26(39)41-15-10-12-19(33-27(40)42-28(2,3)4)25(38)34-16-17-20(29(17,5)6)21(34)23(36)32-18/h7,17-21H,1,8-16H2,2-6H3,(H,30,37)(H,31,39)(H,32,36)(H,33,40)/t17-,18-,19-,20-,21-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
660 -35.9n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27050
PNG
(Macrocyclic Peptidomimetic, 18 | tert-butyl N-[(3R...)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)CCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C29H46N4O8S/c1-28(2,3)41-27(38)32-20-16-42(39,40)14-10-8-6-7-9-11-19(23(34)25(36)30-17-12-13-17)31-24(35)22-21-18(29(21,4)5)15-33(22)26(20)37/h17-22H,6-16H2,1-5H3,(H,30,36)(H,31,35)(H,32,38)/t18-,19-,20-,21-,22-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
670 -35.8n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%