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PubMed code 16413182

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))
BDBM9761
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C37H55N7O7/c1-36(2,3)30(41-35(51)42-37(4,5)6)34(50)44-24-17-16-23(19-24)28(44)31(47)39-25(18-21-14-15-21)29(46)32(48)38-20-26(45)40-27(33(49)43(7)8)22-12-10-9-11-13-22/h9-13,21,23-25,27-28,30H,14-20H2,1-8H3,(H,38,48)(H,39,47)(H,40,45)(H2,41,42,51)/t23?,24?,25?,27-,28-,30+/m0/s1
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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 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9763
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C38H57N7O7/c1-37(2,3)31(42-36(52)43-38(4,5)6)35(51)45-25-18-17-24(20-25)29(45)32(48)40-26(19-22-13-12-14-22)30(47)33(49)39-21-27(46)41-28(34(50)44(7)8)23-15-10-9-11-16-23/h9-11,15-16,22,24-26,28-29,31H,12-14,17-21H2,1-8H3,(H,39,49)(H,40,48)(H,41,46)(H2,42,43,52)/t24?,25?,26?,28-,29-,31+/m0/s1
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PubMed
13 -45.8n/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...


Bioorg Med Chem Lett 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9753
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C37H54N6O8/c1-36(2,3)30(41-35(50)51-37(4,5)6)34(49)43-24-17-16-23(19-24)28(43)31(46)39-25(18-21-14-15-21)29(45)32(47)38-20-26(44)40-27(33(48)42(7)8)22-12-10-9-11-13-22/h9-13,21,23-25,27-28,30H,14-20H2,1-8H3,(H,38,47)(H,39,46)(H,40,44)(H,41,50)/t23?,24?,25?,27-,28-,30+/m0/s1
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PubMed
19 -44.8n/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...


Bioorg Med Chem Lett 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9760
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C39H57N7O7/c1-39(2,3)44-38(53)43-31(25-14-10-7-11-15-25)37(52)46-27-19-18-26(21-27)32(46)34(49)41-28(20-23-16-17-23)33(48)35(50)40-22-29(47)42-30(36(51)45(4)5)24-12-8-6-9-13-24/h6,8-9,12-13,23,25-28,30-32H,7,10-11,14-22H2,1-5H3,(H,40,50)(H,41,49)(H,42,47)(H2,43,44,53)/t26?,27?,28?,30-,31-,32-/m0/s1
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PubMed
19 -44.8n/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...


Bioorg Med Chem Lett 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9758
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C39H56N6O8/c1-39(2,3)53-38(52)43-31(25-14-10-7-11-15-25)37(51)45-27-19-18-26(21-27)32(45)34(48)41-28(20-23-16-17-23)33(47)35(49)40-22-29(46)42-30(36(50)44(4)5)24-12-8-6-9-13-24/h6,8-9,12-13,23,25-28,30-32H,7,10-11,14-22H2,1-5H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t26?,27?,28?,30-,31-,32-/m0/s1
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Article
PubMed
20 -44.7n/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 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9762
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C40H59N7O7/c1-40(2,3)45-39(54)44-32(26-17-10-7-11-18-26)38(53)47-28-20-19-27(22-28)33(47)35(50)42-29(21-24-13-12-14-24)34(49)36(51)41-23-30(48)43-31(37(52)46(4)5)25-15-8-6-9-16-25/h6,8-9,15-16,24,26-29,31-33H,7,10-14,17-23H2,1-5H3,(H,41,51)(H,42,50)(H,43,48)(H2,44,45,54)/t27?,28?,29?,31-,32-,33-/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...


Bioorg Med Chem Lett 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9754
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C38H56N6O8/c1-37(2,3)31(42-36(51)52-38(4,5)6)35(50)44-25-18-17-24(20-25)29(44)32(47)40-26(19-22-13-12-14-22)30(46)33(48)39-21-27(45)41-28(34(49)43(7)8)23-15-10-9-11-16-23/h9-11,15-16,22,24-26,28-29,31H,12-14,17-21H2,1-8H3,(H,39,48)(H,40,47)(H,41,45)(H,42,51)/t24?,25?,26?,28-,29-,31+/m0/s1
PDB
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Article
PubMed
27 -43.9n/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 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9752
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CC(C)CC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1
Show InChI InChI=1S/C37H56N6O8/c1-21(2)18-25(29(45)32(47)38-20-26(44)40-27(33(48)42(9)10)22-14-12-11-13-15-22)39-31(46)28-23-16-17-24(19-23)43(28)34(49)30(36(3,4)5)41-35(50)51-37(6,7)8/h11-15,21,23-25,27-28,30H,16-20H2,1-10H3,(H,38,47)(H,39,46)(H,40,44)(H,41,50)/t23?,24?,25?,27-,28-,30+/m0/s1
PDB
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Article
PubMed
40 -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 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9756
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CCCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1
Show InChI InChI=1S/C39H58N6O8/c1-7-8-19-28(33(47)35(49)40-23-29(46)42-30(36(50)44(5)6)24-15-11-9-12-16-24)41-34(48)32-26-20-21-27(22-26)45(32)37(51)31(25-17-13-10-14-18-25)43-38(52)53-39(2,3)4/h9,11-12,15-16,25-28,30-32H,7-8,10,13-14,17-23H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t26?,27?,28?,30-,31-,32-/m0/s1
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Article
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 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9759
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C40H58N6O8/c1-40(2,3)54-39(53)44-32(26-17-10-7-11-18-26)38(52)46-28-20-19-27(22-28)33(46)35(49)42-29(21-24-13-12-14-24)34(48)36(50)41-23-30(47)43-31(37(51)45(4)5)25-15-8-6-9-16-25/h6,8-9,15-16,24,26-29,31-33H,7,10-14,17-23H2,1-5H3,(H,41,50)(H,42,49)(H,43,47)(H,44,53)/t27?,28?,29?,31-,32-,33-/m0/s1
PDB
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Article
PubMed
51 -42.3n/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 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9757
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CC(C)CC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1
Show InChI InChI=1S/C39H58N6O8/c1-23(2)20-28(33(47)35(49)40-22-29(46)42-30(36(50)44(6)7)24-14-10-8-11-15-24)41-34(48)32-26-18-19-27(21-26)45(32)37(51)31(25-16-12-9-13-17-25)43-38(52)53-39(3,4)5/h8,10-11,14-15,23,25-28,30-32H,9,12-13,16-22H2,1-7H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t26?,27?,28?,30-,31-,32-/m0/s1
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53 -42.2n/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 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9751
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CCCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1
Show InChI InChI=1S/C37H56N6O8/c1-10-11-17-25(29(45)32(47)38-21-26(44)40-27(33(48)42(8)9)22-15-13-12-14-16-22)39-31(46)28-23-18-19-24(20-23)43(28)34(49)30(36(2,3)4)41-35(50)51-37(5,6)7/h12-16,23-25,27-28,30H,10-11,17-21H2,1-9H3,(H,38,47)(H,39,46)(H,40,44)(H,41,50)/t23?,24?,25?,27-,28-,30+/m0/s1
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81 -41.2n/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 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9755
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1
Show InChI InChI=1S/C38H56N6O8/c1-7-14-27(32(46)34(48)39-22-28(45)41-29(35(49)43(5)6)23-15-10-8-11-16-23)40-33(47)31-25-19-20-26(21-25)44(31)36(50)30(24-17-12-9-13-18-24)42-37(51)52-38(2,3)4/h8,10-11,15-16,24-27,29-31H,7,9,12-14,17-22H2,1-6H3,(H,39,48)(H,40,47)(H,41,45)(H,42,51)/t25?,26?,27?,29-,30-,31-/m0/s1
PDB
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B.MOAD
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UniChem

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Article
PubMed
90 -40.9n/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 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9750
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1
Show InChI InChI=1S/C36H54N6O8/c1-10-14-24(28(44)31(46)37-20-25(43)39-26(32(47)41(8)9)21-15-12-11-13-16-21)38-30(45)27-22-17-18-23(19-22)42(27)33(48)29(35(2,3)4)40-34(49)50-36(5,6)7/h11-13,15-16,22-24,26-27,29H,10,14,17-20H2,1-9H3,(H,37,46)(H,38,45)(H,39,43)(H,40,49)/t22?,23?,24?,26-,27-,29+/m0/s1
PDB
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UniProtKB/SwissProt

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DrugBank
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PC sid
UniChem

Similars

Article
PubMed
110 -40.4n/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 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9748
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H48N4O8/c1-8-12-23(26(39)29(41)34-18-24(38)44-19-20-13-10-9-11-14-20)35-28(40)25-21-15-16-22(17-21)37(25)30(42)27(32(2,3)4)36-31(43)45-33(5,6)7/h9-11,13-14,21-23,25,27H,8,12,15-19H2,1-7H3,(H,34,41)(H,35,40)(H,36,43)/t21?,22?,23?,25-,27+/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+3 -33.8n/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...


Bioorg Med Chem Lett 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9749
PNG
(2-(3-{[(3S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amin...)
Show SMILES CCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C26H42N4O8/c1-8-9-16(19(33)22(35)27-13-17(31)32)28-21(34)18-14-10-11-15(12-14)30(18)23(36)20(25(2,3)4)29-24(37)38-26(5,6)7/h14-16,18,20H,8-13H2,1-7H3,(H,27,35)(H,28,34)(H,29,37)(H,31,32)/t14?,15?,16?,18-,20+/m0/s1
PDB
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B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
3.80E+3 -31.5n/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 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9747
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC=C
Show InChI InChI=1S/C27H44N4O6/c1-9-11-18(20(32)23(34)28-14-10-2)29-22(33)19-16-12-13-17(15-16)31(19)24(35)21(26(3,4)5)30-25(36)37-27(6,7)8/h10,16-19,21H,2,9,11-15H2,1,3-8H3,(H,28,34)(H,29,33)(H,30,36)/t16?,17?,18?,19-,21+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.50E+3 -30.5n/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 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM9746
PNG
(2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...)
Show SMILES CCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(N)=O
Show InChI InChI=1S/C24H40N4O6/c1-8-9-15(17(29)19(25)30)26-20(31)16-13-10-11-14(12-13)28(16)21(32)18(23(2,3)4)27-22(33)34-24(5,6)7/h13-16,18H,8-12H2,1-7H3,(H2,25,30)(H,26,31)(H,27,33)/t13?,14?,15?,16-,18+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.90E+3 -30.0n/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 16: 1628-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.046
BindingDB Entry DOI: 10.7270/Q2B856BB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%