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PubMed code 19168351

Compile data set for download or QSAR
Found 18 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))
BDBM27048
PNG
(3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-2,3-...)
Show SMILES CC(C)(C)[C@@H](CN1Cc2ccccc2S1(=O)=O)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CCC#C)C(=O)C(=O)NCC=C)C2(C)C)C(C)(C)C
Show InChI InChI=1S/C38H54N6O7S/c1-11-13-17-25(30(45)33(47)39-19-12-2)40-32(46)29-28-24(38(28,9)10)21-44(29)34(48)31(37(6,7)8)42-35(49)41-27(36(3,4)5)22-43-20-23-16-14-15-18-26(23)52(43,50)51/h1,12,14-16,18,24-25,27-29,31H,2,13,17,19-22H2,3-10H3,(H,39,47)(H,40,46)(H2,41,42,49)/t24-,25?,27+,28-,29-,31+/m0/s1
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Article
PubMed
0.900 -52.5n/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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27043
PNG
(3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-2H,3...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3sccc3S1(=O)=O)C(C)(C)C)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C38H58N6O7S2/c1-9-14-24(30(45)33(47)39-18-10-2)40-32(46)29-28-23(37(28,6)7)20-44(29)34(48)31(38(8)16-12-11-13-17-38)42-35(49)41-27(36(3,4)5)22-43-21-25-26(15-19-52-25)53(43,50)51/h10,15,19,23-24,27-29,31H,2,9,11-14,16-18,20-22H2,1,3-8H3,(H,39,47)(H,40,46)(H2,41,42,49)/t23-,24?,27+,28-,29-,31+/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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27039
PNG
(3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-2,3-...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3ccccc3S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C37H56N6O7S/c1-11-15-24(29(44)32(46)38-18-12-2)39-31(45)28-27-23(37(27,9)10)20-43(28)33(47)30(36(6,7)8)41-34(48)40-26(35(3,4)5)21-42-19-22-16-13-14-17-25(22)51(42,49)50/h12-14,16-17,23-24,26-28,30H,2,11,15,18-21H2,1,3-10H3,(H,38,46)(H,39,45)(H2,40,41,48)/t23-,24?,26+,27-,28-,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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27049
PNG
(3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-2,3-...)
Show SMILES CCCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3ccccc3S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C38H58N6O7S/c1-11-13-17-25(30(45)33(47)39-19-12-2)40-32(46)29-28-24(38(28,9)10)21-44(29)34(48)31(37(6,7)8)42-35(49)41-27(36(3,4)5)22-43-20-23-16-14-15-18-26(23)52(43,50)51/h12,14-16,18,24-25,27-29,31H,2,11,13,17,19-22H2,1,3-10H3,(H,39,47)(H,40,46)(H2,41,42,49)/t24-,25?,27+,28-,29-,31+/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


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Article
PubMed
5 -48.2n/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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27045
PNG
(3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-2,3-...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3ccccc3S1(=O)=O)C(C)(C)C)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C40H60N6O7S/c1-9-16-27(32(47)35(49)41-21-10-2)42-34(48)31-30-26(39(30,6)7)23-46(31)36(50)33(40(8)19-14-11-15-20-40)44-37(51)43-29(38(3,4)5)24-45-22-25-17-12-13-18-28(25)54(45,52)53/h10,12-13,17-18,26-27,29-31,33H,2,9,11,14-16,19-24H2,1,3-8H3,(H,41,49)(H,42,48)(H2,43,44,51)/t26-,27?,29+,30-,31-,33+/m0/s1
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UniProtKB/SwissProt

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DrugBank
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UniChem

Patents


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Article
PubMed
5 -48.2n/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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27033
PNG
(3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-1,2-...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCCS1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C34H58N6O7S/c1-11-15-22(26(41)29(43)35-16-12-2)36-28(42)25-24-21(34(24,9)10)19-40(25)30(44)27(33(6,7)8)38-31(45)37-23(32(3,4)5)20-39-17-13-14-18-48(39,46)47/h12,21-25,27H,2,11,13-20H2,1,3-10H3,(H,35,43)(H,36,42)(H2,37,38,45)/t21-,22?,23+,24-,25-,27+/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Patents


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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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27047
PNG
(4-cyclopropyl-3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(...)
Show SMILES CC(C)(C)[C@@H](CN1Cc2ccccc2S1(=O)=O)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(=O)NCC=C)C2(C)C)C(C)(C)C
Show InChI InChI=1S/C38H56N6O7S/c1-10-17-39-33(47)30(45)25(18-22-15-16-22)40-32(46)29-28-24(38(28,8)9)20-44(29)34(48)31(37(5,6)7)42-35(49)41-27(36(2,3)4)21-43-19-23-13-11-12-14-26(23)52(43,50)51/h10-14,22,24-25,27-29,31H,1,15-21H2,2-9H3,(H,39,47)(H,40,46)(H2,41,42,49)/t24-,25?,27+,28-,29-,31+/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Patents


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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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27044
PNG
(3-{[(1R,2S,5S)-3-[(2S)-2-cyclohexyl-2-({[(2S)-1-(1...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3ccccc3S1(=O)=O)C(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C39H58N6O7S/c1-8-15-27(33(46)35(48)40-20-9-2)41-34(47)32-30-26(39(30,6)7)22-45(32)36(49)31(24-16-11-10-12-17-24)43-37(50)42-29(38(3,4)5)23-44-21-25-18-13-14-19-28(25)53(44,51)52/h9,13-14,18-19,24,26-27,29-32H,2,8,10-12,15-17,20-23H2,1,3-7H3,(H,40,48)(H,41,47)(H2,42,43,50)/t26-,27?,29+,30-,31-,32-/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
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UniChem

Patents


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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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27037
PNG
(3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-2H,3...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3sccc3S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C35H54N6O7S2/c1-11-13-21(27(42)30(44)36-15-12-2)37-29(43)26-25-20(35(25,9)10)17-41(26)31(45)28(34(6,7)8)39-32(46)38-24(33(3,4)5)19-40-18-22-23(14-16-49-22)50(40,47)48/h12,14,16,20-21,24-26,28H,2,11,13,15,17-19H2,1,3-10H3,(H,36,44)(H,37,43)(H2,38,39,46)/t20-,21?,24+,25-,26-,28+/m0/s1
PDB
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UniProtKB/SwissProt

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DrugBank
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UniChem

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Article
PubMed
10 -46.4n/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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27032
PNG
(3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-1,2-...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCS1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C33H56N6O7S/c1-11-14-21(25(40)28(42)34-15-12-2)35-27(41)24-23-20(33(23,9)10)18-39(24)29(43)26(32(6,7)8)37-30(44)36-22(31(3,4)5)19-38-16-13-17-47(38,45)46/h12,20-24,26H,2,11,13-19H2,1,3-10H3,(H,34,42)(H,35,41)(H2,36,37,44)/t20-,21?,22+,23-,24-,26+/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
11 -46.2n/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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27042
PNG
(3-{[(1R,2S,5S)-3-[(2S)-2-cyclohexyl-2-({[(2S)-1-(1...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3sccc3S1(=O)=O)C(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C37H56N6O7S2/c1-8-13-24(31(44)33(46)38-17-9-2)39-32(45)30-28-23(37(28,6)7)19-43(30)34(47)29(22-14-11-10-12-15-22)41-35(48)40-27(36(3,4)5)21-42-20-25-26(16-18-51-25)52(42,49)50/h9,16,18,22-24,27-30H,2,8,10-15,17,19-21H2,1,3-7H3,(H,38,46)(H,39,45)(H2,40,41,48)/t23-,24?,27+,28-,29-,30-/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
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PC cid
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UniChem

Patents


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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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27036
PNG
(3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-3,3-dimethyl-1-(6...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCN(C)S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C34H59N7O7S/c1-12-15-22(26(42)29(44)35-16-13-2)36-28(43)25-24-21(34(24,9)10)19-41(25)30(45)27(33(6,7)8)38-31(46)37-23(32(3,4)5)20-40-18-14-17-39(11)49(40,47)48/h13,21-25,27H,2,12,14-20H2,1,3-11H3,(H,35,44)(H,36,43)(H2,37,38,46)/t21-,22?,23+,24-,25-,27+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


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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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27041
PNG
(3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-3,3-dimethyl-1-(1...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1C(=O)c3ccccc3S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C37H54N6O8S/c1-11-15-23(28(44)31(46)38-18-12-2)39-30(45)27-26-22(37(26,9)10)19-42(27)33(48)29(36(6,7)8)41-34(49)40-25(35(3,4)5)20-43-32(47)21-16-13-14-17-24(21)52(43,50)51/h12-14,16-17,22-23,25-27,29H,2,11,15,18-20H2,1,3-10H3,(H,38,46)(H,39,45)(H2,40,41,49)/t22-,23?,25+,26-,27-,29+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27040
PNG
(3-{[(1R,2S,5S)-3-[(2S)-2-({[(1S)-1-cyclohexyl-2-(1...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3ccccc3S1(=O)=O)C1CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C39H58N6O7S/c1-8-15-27(32(46)35(48)40-20-9-2)41-34(47)31-30-26(39(30,6)7)22-45(31)36(49)33(38(3,4)5)43-37(50)42-28(24-16-11-10-12-17-24)23-44-21-25-18-13-14-19-29(25)53(44,51)52/h9,13-14,18-19,24,26-28,30-31,33H,2,8,10-12,15-17,20-23H2,1,3-7H3,(H,40,48)(H,41,47)(H2,42,43,50)/t26-,27?,28+,30-,31-,33+/m0/s1
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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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27034
PNG
(3-{[(1R,2S,5S)-3-[(2S)-2-({[(1S)-1-cyclohexyl-2-(1...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCCS1(=O)=O)C1CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C36H60N6O7S/c1-8-15-25(29(43)32(45)37-18-9-2)38-31(44)28-27-24(36(27,6)7)21-42(28)33(46)30(35(3,4)5)40-34(47)39-26(23-16-11-10-12-17-23)22-41-19-13-14-20-50(41,48)49/h9,23-28,30H,2,8,10-22H2,1,3-7H3,(H,37,45)(H,38,44)(H2,39,40,47)/t24-,25?,26+,27-,28-,30+/m0/s1
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Article
PubMed
30 -43.7n/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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27046
PNG
(4-cyclobutyl-3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1...)
Show SMILES CC(C)(C)[C@@H](CN1Cc2ccccc2S1(=O)=O)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(=O)NCC=C)C2(C)C)C(C)(C)C
Show InChI InChI=1S/C39H58N6O7S/c1-10-18-40-34(48)31(46)26(19-23-14-13-15-23)41-33(47)30-29-25(39(29,8)9)21-45(30)35(49)32(38(5,6)7)43-36(50)42-28(37(2,3)4)22-44-20-24-16-11-12-17-27(24)53(44,51)52/h10-12,16-17,23,25-26,28-30,32H,1,13-15,18-22H2,2-9H3,(H,40,48)(H,41,47)(H2,42,43,50)/t25-,26?,28+,29-,30-,32+/m0/s1
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Article
PubMed
30 -43.7n/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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27038
PNG
(3-{[(1R,2S,5S)-3-[(2S)-2-[({1-[(1,1-dioxo-2H,3H-1,...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CN3Cc4sccc4S3(=O)=O)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C36H54N6O7S2/c1-8-13-23(28(43)31(45)37-17-9-2)38-30(44)27-26-22(35(26,6)7)19-42(27)32(46)29(34(3,4)5)39-33(47)40-36(15-11-10-12-16-36)21-41-20-24-25(14-18-50-24)51(41,48)49/h9,14,18,22-23,26-27,29H,2,8,10-13,15-17,19-21H2,1,3-7H3,(H,37,45)(H,38,44)(H2,39,40,47)/t22-,23?,26-,27-,29+/m0/s1
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PubMed
41 -42.9n/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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM27035
PNG
(3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-1,2,...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCNS1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C33H57N7O7S/c1-11-14-21(25(41)28(43)34-15-12-2)36-27(42)24-23-20(33(23,9)10)18-40(24)29(44)26(32(6,7)8)38-30(45)37-22(31(3,4)5)19-39-17-13-16-35-48(39,46)47/h12,20-24,26,35H,2,11,13-19H2,1,3-10H3,(H,34,43)(H,36,42)(H2,37,38,45)/t20-,21?,22+,23-,24-,26+/m0/s1
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Article
PubMed
59 -42.0n/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...


Bioorg Med Chem Lett 19: 1105-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.111
BindingDB Entry DOI: 10.7270/Q22B8WBZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%