BindingDB logo
myBDB logout

PubMed code 15239657

Compile data set for download or QSAR
Found 30 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)
BDBM3900
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](C)c1ccc(Br)cc1
Show InChI InChI=1S/C46H65BrN8O12/c1-8-21-55(46(66)48-28(6)31-15-17-32(47)18-16-31)53-43(63)36-22-33(67-25-30-13-11-10-12-14-30)24-54(36)45(65)39(26(3)4)51-44(64)40(27(5)9-2)52-41(61)34(19-20-37(57)58)50-42(62)35(23-38(59)60)49-29(7)56/h10-18,26-28,33-36,39-40H,8-9,19-25H2,1-7H3,(H,48,66)(H,49,56)(H,50,62)(H,51,64)(H,52,61)(H,53,63)(H,57,58)(H,59,60)/t27-,28-,33+,34+,35-,36-,39-,40-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3893
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C46H66N8O12/c1-8-22-54(46(65)47-29(6)32-18-14-11-15-19-32)52-43(62)36-23-33(66-26-31-16-12-10-13-17-31)25-53(36)45(64)39(27(3)4)50-44(63)40(28(5)9-2)51-41(60)34(20-21-37(56)57)49-42(61)35(24-38(58)59)48-30(7)55/h10-19,27-29,33-36,39-40H,8-9,20-26H2,1-7H3,(H,47,65)(H,48,55)(H,49,61)(H,50,63)(H,51,60)(H,52,62)(H,56,57)(H,58,59)/t28-,29-,33+,34+,35-,36-,39-,40-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 78n/an/an/an/a7.523



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3902
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(CC)C(=O)N[C@@H](C)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C45H64N8O12/c1-8-27(5)39(50-40(59)33(20-21-36(55)56)48-41(60)34(23-37(57)58)47-29(7)54)43(62)49-38(26(3)4)44(63)52-24-32(65-25-30-16-12-10-13-17-30)22-35(52)42(61)51-53(9-2)45(64)46-28(6)31-18-14-11-15-19-31/h10-19,26-28,32-35,38-39H,8-9,20-25H2,1-7H3,(H,46,64)(H,47,54)(H,48,60)(H,49,62)(H,50,59)(H,51,61)(H,55,56)(H,57,58)/t27-,28-,32+,33+,34-,35-,38-,39-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3903
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C47H68N8O12/c1-8-10-23-55(47(66)48-30(6)33-19-15-12-16-20-33)53-44(63)37-24-34(67-27-32-17-13-11-14-18-32)26-54(37)46(65)40(28(3)4)51-45(64)41(29(5)9-2)52-42(61)35(21-22-38(57)58)50-43(62)36(25-39(59)60)49-31(7)56/h11-20,28-30,34-37,40-41H,8-10,21-27H2,1-7H3,(H,48,66)(H,49,56)(H,50,62)(H,51,64)(H,52,61)(H,53,63)(H,57,58)(H,59,60)/t29-,30-,34+,35+,36-,37-,40-,41-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3895
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@H]1CCc2ccccc12
Show InChI InChI=1S/C47H66N8O12/c1-7-22-55(47(66)50-34-19-18-31-16-12-13-17-33(31)34)53-44(63)37-23-32(67-26-30-14-10-9-11-15-30)25-54(37)46(65)40(27(3)4)51-45(64)41(28(5)8-2)52-42(61)35(20-21-38(57)58)49-43(62)36(24-39(59)60)48-29(6)56/h9-17,27-28,32,34-37,40-41H,7-8,18-26H2,1-6H3,(H,48,56)(H,49,62)(H,50,66)(H,51,64)(H,52,61)(H,53,63)(H,57,58)(H,59,60)/t28-,32+,34-,35+,36-,37-,40-,41-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3908
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(CC(F)(F)F)C(=O)N[C@@H](C)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C45H61F3N8O12/c1-7-26(4)38(53-39(62)32(18-19-35(58)59)51-40(63)33(21-36(60)61)50-28(6)57)42(65)52-37(25(2)3)43(66)55-22-31(68-23-29-14-10-8-11-15-29)20-34(55)41(64)54-56(24-45(46,47)48)44(67)49-27(5)30-16-12-9-13-17-30/h8-17,25-27,31-34,37-38H,7,18-24H2,1-6H3,(H,49,67)(H,50,57)(H,51,63)(H,52,65)(H,53,62)(H,54,64)(H,58,59)(H,60,61)/t26-,27-,31+,32+,33-,34-,37-,38-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3897
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](C)C1CCCCC1
Show InChI InChI=1S/C46H72N8O12/c1-8-22-54(46(65)47-29(6)32-18-14-11-15-19-32)52-43(62)36-23-33(66-26-31-16-12-10-13-17-31)25-53(36)45(64)39(27(3)4)50-44(63)40(28(5)9-2)51-41(60)34(20-21-37(56)57)49-42(61)35(24-38(58)59)48-30(7)55/h10,12-13,16-17,27-29,32-36,39-40H,8-9,11,14-15,18-26H2,1-7H3,(H,47,65)(H,48,55)(H,49,61)(H,50,63)(H,51,60)(H,52,62)(H,56,57)(H,58,59)/t28-,29-,33+,34+,35-,36-,39-,40-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3901
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(C)C(=O)N[C@@H](C)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C44H62N8O12/c1-8-26(4)38(49-39(58)32(19-20-35(54)55)47-40(59)33(22-36(56)57)46-28(6)53)42(61)48-37(25(2)3)43(62)52-23-31(64-24-29-15-11-9-12-16-29)21-34(52)41(60)50-51(7)44(63)45-27(5)30-17-13-10-14-18-30/h9-18,25-27,31-34,37-38H,8,19-24H2,1-7H3,(H,45,63)(H,46,53)(H,47,59)(H,48,61)(H,49,58)(H,50,60)(H,54,55)(H,56,57)/t26-,27-,31+,32+,33-,34-,37-,38-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3894
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](CC)c1ccccc1
Show InChI InChI=1S/C47H68N8O12/c1-8-23-55(47(66)50-34(10-3)32-19-15-12-16-20-32)53-44(63)37-24-33(67-27-31-17-13-11-14-18-31)26-54(37)46(65)40(28(4)5)51-45(64)41(29(6)9-2)52-42(61)35(21-22-38(57)58)49-43(62)36(25-39(59)60)48-30(7)56/h11-20,28-29,33-37,40-41H,8-10,21-27H2,1-7H3,(H,48,56)(H,49,62)(H,50,66)(H,51,64)(H,52,61)(H,53,63)(H,57,58)(H,59,60)/t29-,33+,34-,35+,36-,37-,40-,41-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3896
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)NN(C)c1ccccc1
Show InChI InChI=1S/C45H65N9O12/c1-8-22-54(45(65)51-52(7)31-18-14-11-15-19-31)50-42(62)35-23-32(66-26-30-16-12-10-13-17-30)25-53(35)44(64)38(27(3)4)48-43(63)39(28(5)9-2)49-40(60)33(20-21-36(56)57)47-41(61)34(24-37(58)59)46-29(6)55/h10-19,27-28,32-35,38-39H,8-9,20-26H2,1-7H3,(H,46,55)(H,47,61)(H,48,63)(H,49,60)(H,50,62)(H,51,65)(H,56,57)(H,58,59)/t28-,32+,33+,34-,35-,38-,39-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3904
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCCCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C48H70N8O12/c1-8-10-17-24-56(48(67)49-31(6)34-20-15-12-16-21-34)54-45(64)38-25-35(68-28-33-18-13-11-14-19-33)27-55(38)47(66)41(29(3)4)52-46(65)42(30(5)9-2)53-43(62)36(22-23-39(58)59)51-44(63)37(26-40(60)61)50-32(7)57/h11-16,18-21,29-31,35-38,41-42H,8-10,17,22-28H2,1-7H3,(H,49,67)(H,50,57)(H,51,63)(H,52,65)(H,53,62)(H,54,64)(H,58,59)(H,60,61)/t30-,31-,35+,36+,37-,38-,41-,42-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3899
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](C)c1cccc2ccccc12
Show InChI InChI=1S/C50H68N8O12/c1-8-24-58(50(69)51-31(6)36-21-15-19-34-18-13-14-20-37(34)36)56-47(66)40-25-35(70-28-33-16-11-10-12-17-33)27-57(40)49(68)43(29(3)4)54-48(67)44(30(5)9-2)55-45(64)38(22-23-41(60)61)53-46(65)39(26-42(62)63)52-32(7)59/h10-21,29-31,35,38-40,43-44H,8-9,22-28H2,1-7H3,(H,51,69)(H,52,59)(H,53,65)(H,54,67)(H,55,64)(H,56,66)(H,60,61)(H,62,63)/t30-,31-,35+,38+,39-,40-,43-,44-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3886
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-2-({[(2H-1,3-ben...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C46H64N8O14/c1-7-18-54(46(65)47-22-30-14-16-35-36(19-30)68-25-67-35)52-43(62)34-20-31(66-24-29-12-10-9-11-13-29)23-53(34)45(64)39(26(3)4)50-44(63)40(27(5)8-2)51-41(60)32(15-17-37(56)57)49-42(61)33(21-38(58)59)48-28(6)55/h9-14,16,19,26-27,31-34,39-40H,7-8,15,17-18,20-25H2,1-6H3,(H,47,65)(H,48,55)(H,49,61)(H,50,63)(H,51,60)(H,52,62)(H,56,57)(H,58,59)/t27-,31+,32+,33-,34-,39-,40-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/a7.523



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3885
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-2-{[(benzylcarba...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C45H64N8O12/c1-7-21-53(45(64)46-24-30-15-11-9-12-16-30)51-42(61)35-22-32(65-26-31-17-13-10-14-18-31)25-52(35)44(63)38(27(3)4)49-43(62)39(28(5)8-2)50-40(59)33(19-20-36(55)56)48-41(60)34(23-37(57)58)47-29(6)54/h9-18,27-28,32-35,38-39H,7-8,19-26H2,1-6H3,(H,46,64)(H,47,54)(H,48,60)(H,49,62)(H,50,59)(H,51,61)(H,55,56)(H,57,58)/t28-,32+,33+,34-,35-,38-,39-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 590n/an/an/an/a7.523



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3881
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H58N6O13/c1-7-12-27(39(56)57)42-36(53)29-17-25(58-20-24-13-10-9-11-14-24)19-45(29)38(55)32(21(3)4)43-37(54)33(22(5)8-2)44-34(51)26(15-16-30(47)48)41-35(52)28(18-31(49)50)40-23(6)46/h9-11,13-14,21-22,25-29,32-33H,7-8,12,15-20H2,1-6H3,(H,40,46)(H,41,52)(H,42,53)(H,43,54)(H,44,51)(H,47,48)(H,49,50)(H,56,57)/t22-,25+,26+,27-,28-,29-,32-,33-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 600n/an/an/an/a7.523



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3891
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C46H65N7O12/c1-7-23-53(37(55)21-19-31-15-11-9-12-16-31)51-44(62)36-24-33(65-27-32-17-13-10-14-18-32)26-52(36)46(64)40(28(3)4)49-45(63)41(29(5)8-2)50-42(60)34(20-22-38(56)57)48-43(61)35(25-39(58)59)47-30(6)54/h9-18,28-29,33-36,40-41H,7-8,19-27H2,1-6H3,(H,47,54)(H,48,61)(H,49,63)(H,50,60)(H,51,62)(H,56,57)(H,58,59)/t29-,33+,34+,35-,36-,40-,41-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 710n/an/an/an/a7.523



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3890
PNG
(Azapeptide-based compound 31)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C45H63N7O13/c1-7-21-52(45(63)65-26-31-17-13-10-14-18-31)50-42(60)35-22-32(64-25-30-15-11-9-12-16-30)24-51(35)44(62)38(27(3)4)48-43(61)39(28(5)8-2)49-40(58)33(19-20-36(54)55)47-41(59)34(23-37(56)57)46-29(6)53/h9-18,27-28,32-35,38-39H,7-8,19-26H2,1-6H3,(H,46,53)(H,47,59)(H,48,61)(H,49,58)(H,50,60)(H,54,55)(H,56,57)/t28-,32+,33+,34-,35-,38-,39-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/a7.523



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3898
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](C)c1nnn[nH]1
Show InChI InChI=1S/C41H62N12O12/c1-8-17-53(41(64)42-24(6)35-47-50-51-48-35)49-38(61)30-18-27(65-21-26-13-11-10-12-14-26)20-52(30)40(63)33(22(3)4)45-39(62)34(23(5)9-2)46-36(59)28(15-16-31(55)56)44-37(60)29(19-32(57)58)43-25(7)54/h10-14,22-24,27-30,33-34H,8-9,15-21H2,1-7H3,(H,42,64)(H,43,54)(H,44,60)(H,45,62)(H,46,59)(H,49,61)(H,55,56)(H,57,58)(H,47,48,50,51)/t23-,24-,27+,28+,29-,30-,33-,34-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 860n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3906
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(CC(C)C)C(=O)N[C@@H](C)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C47H68N8O12/c1-9-29(6)41(52-42(61)35(20-21-38(57)58)50-43(62)36(23-39(59)60)49-31(8)56)45(64)51-40(28(4)5)46(65)54-25-34(67-26-32-16-12-10-13-17-32)22-37(54)44(63)53-55(24-27(2)3)47(66)48-30(7)33-18-14-11-15-19-33/h10-19,27-30,34-37,40-41H,9,20-26H2,1-8H3,(H,48,66)(H,49,56)(H,50,62)(H,51,64)(H,52,61)(H,53,63)(H,57,58)(H,59,60)/t29-,30-,34+,35+,36-,37-,40-,41-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3905
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(C(CC)CC)C(=O)N[C@@H](C)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C48H70N8O12/c1-9-29(6)42(53-43(62)36(22-23-39(58)59)51-44(63)37(25-40(60)61)50-31(8)57)46(65)52-41(28(4)5)47(66)55-26-35(68-27-32-18-14-12-15-19-32)24-38(55)45(64)54-56(34(10-2)11-3)48(67)49-30(7)33-20-16-13-17-21-33/h12-21,28-30,34-38,41-42H,9-11,22-27H2,1-8H3,(H,49,67)(H,50,57)(H,51,63)(H,52,65)(H,53,62)(H,54,64)(H,58,59)(H,60,61)/t29-,30-,35+,36+,37-,38-,41-,42-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3889
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-2-{[(benzylcarba...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=S)NCc1ccccc1
Show InChI InChI=1S/C45H64N8O11S/c1-7-21-53(45(65)46-24-30-15-11-9-12-16-30)51-42(61)35-22-32(64-26-31-17-13-10-14-18-31)25-52(35)44(63)38(27(3)4)49-43(62)39(28(5)8-2)50-40(59)33(19-20-36(55)56)48-41(60)34(23-37(57)58)47-29(6)54/h9-18,27-28,32-35,38-39H,7-8,19-26H2,1-6H3,(H,46,65)(H,47,54)(H,48,60)(H,49,62)(H,50,59)(H,51,61)(H,55,56)(H,57,58)/t28-,32+,33+,34-,35-,38-,39-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20E+3n/an/an/an/a7.523



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3892
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C46H66N8O12/c1-8-22-54(46(65)47-29(6)32-18-14-11-15-19-32)52-43(62)36-23-33(66-26-31-16-12-10-13-17-31)25-53(36)45(64)39(27(3)4)50-44(63)40(28(5)9-2)51-41(60)34(20-21-37(56)57)49-42(61)35(24-38(58)59)48-30(7)55/h10-19,27-29,33-36,39-40H,8-9,20-26H2,1-7H3,(H,47,65)(H,48,55)(H,49,61)(H,50,63)(H,51,60)(H,52,62)(H,56,57)(H,58,59)/t28-,29+,33+,34+,35-,36-,39-,40-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/a7.523



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3888
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C46H64N8O12/c1-7-21-54(46(65)52-22-20-31-16-12-13-17-35(31)52)51-43(62)36-23-32(66-26-30-14-10-9-11-15-30)25-53(36)45(64)39(27(3)4)49-44(63)40(28(5)8-2)50-41(60)33(18-19-37(56)57)48-42(61)34(24-38(58)59)47-29(6)55/h9-17,27-28,32-34,36,39-40H,7-8,18-26H2,1-6H3,(H,47,55)(H,48,61)(H,49,63)(H,50,60)(H,51,62)(H,56,57)(H,58,59)/t28-,32+,33+,34-,36-,39-,40-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+3n/an/an/an/a7.523



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3907
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(CCC(C)C)C(=O)N[C@@H](C)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C48H70N8O12/c1-9-30(6)42(53-43(62)36(20-21-39(58)59)51-44(63)37(25-40(60)61)50-32(8)57)46(65)52-41(29(4)5)47(66)55-26-35(68-27-33-16-12-10-13-17-33)24-38(55)45(64)54-56(23-22-28(2)3)48(67)49-31(7)34-18-14-11-15-19-34/h10-19,28-31,35-38,41-42H,9,20-27H2,1-8H3,(H,49,67)(H,50,57)(H,51,63)(H,52,65)(H,53,62)(H,54,64)(H,58,59)(H,60,61)/t30-,31-,35+,36+,37-,38-,41-,42-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3880
PNG
((2S)-2-{[(2S,4R)-4-(benzyloxy)-1-[(2S)-2-[(2S)-2-[...)
Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H56N6O13/c1-7-12-25(38(55)56)40-35(52)28-15-24(57-19-23-13-10-9-11-14-23)18-44(28)37(54)31(20(3)4)42-36(53)32(21(5)8-2)43-34(51)27(17-30(48)49)41-33(50)26(16-29(46)47)39-22(6)45/h9-11,13-14,20-21,24-28,31-32H,7-8,12,15-19H2,1-6H3,(H,39,45)(H,40,52)(H,41,50)(H,42,53)(H,43,51)(H,46,47)(H,48,49)(H,55,56)/t21-,24+,25-,26-,27-,28-,31-,32-/m0/s1
PDB
MMDB

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/a7.523



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3887
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-2-({[benzyl(meth...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C46H66N8O12/c1-8-22-54(46(65)52(7)25-31-16-12-10-13-17-31)51-43(62)36-23-33(66-27-32-18-14-11-15-19-32)26-53(36)45(64)39(28(3)4)49-44(63)40(29(5)9-2)50-41(60)34(20-21-37(56)57)48-42(61)35(24-38(58)59)47-30(6)55/h10-19,28-29,33-36,39-40H,8-9,20-27H2,1-7H3,(H,47,55)(H,48,61)(H,49,63)(H,50,60)(H,51,62)(H,56,57)(H,58,59)/t29-,33+,34+,35-,36-,39-,40-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.40E+3n/an/an/an/a7.523



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3884
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C38H58N8O12/c1-7-16-46(38(39)57)44-35(54)28-17-25(58-20-24-12-10-9-11-13-24)19-45(28)37(56)31(21(3)4)42-36(55)32(22(5)8-2)43-33(52)26(14-15-29(48)49)41-34(53)27(18-30(50)51)40-23(6)47/h9-13,21-22,25-28,31-32H,7-8,14-20H2,1-6H3,(H2,39,57)(H,40,47)(H,41,53)(H,42,55)(H,43,52)(H,44,54)(H,48,49)(H,50,51)/t22-,25+,26+,27-,28-,31-,32-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.75E+4n/an/an/an/a7.523



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3883
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H59N7O12/c1-7-12-26(34(40)52)42-37(55)29-17-25(58-20-24-13-10-9-11-14-24)19-46(29)39(57)32(21(3)4)44-38(56)33(22(5)8-2)45-35(53)27(15-16-30(48)49)43-36(54)28(18-31(50)51)41-23(6)47/h9-11,13-14,21-22,25-29,32-33H,7-8,12,15-20H2,1-6H3,(H2,40,52)(H,41,47)(H,42,55)(H,43,54)(H,44,56)(H,45,53)(H,48,49)(H,50,51)/t22-,25+,26-,27+,28-,29-,32-,33-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+4n/an/an/an/a7.523



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3882
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCC[C@@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C39H58N6O13/c1-7-12-27(39(56)57)42-36(53)29-17-25(58-20-24-13-10-9-11-14-24)19-45(29)38(55)32(21(3)4)43-37(54)33(22(5)8-2)44-34(51)26(15-16-30(47)48)41-35(52)28(18-31(49)50)40-23(6)46/h9-11,13-14,21-22,25-29,32-33H,7-8,12,15-20H2,1-6H3,(H,40,46)(H,41,52)(H,42,53)(H,43,54)(H,44,51)(H,47,48)(H,49,50)(H,56,57)/t22-,25+,26+,27+,28-,29-,32-,33-/m0/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+4n/an/an/an/a7.523



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus)
BDBM3879
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(3S)-3-[(3S)-3-ac...)
Show SMILES CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(O)=O
Show InChI InChI=1S/C31H50N6O12/c1-7-10-18(31(48)49)33-28(45)21-11-9-12-37(21)30(47)24(15(3)4)35-29(46)25(16(5)8-2)36-27(44)20(14-23(41)42)34-26(43)19(13-22(39)40)32-17(6)38/h15-16,18-21,24-25H,7-14H2,1-6H3,(H,32,38)(H,33,45)(H,34,43)(H,35,46)(H,36,44)(H,39,40)(H,41,42)(H,48,49)/t16-,18-,19-,20-,21-,24-,25-/m0/s1
PDB
MMDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+5n/an/an/an/a7.523



Boehringer Ingelheim (Canada) Ltd



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%