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Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'akerblom' and Initial = 'e'   
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
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50366760
PNG
(CHEMBL2369589)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C36H58N6O14S/c1-6-18(4)28(33(50)40-23(13-20-10-8-7-9-11-20)29(46)41-26(16-57)36(55)56)42-32(49)22(12-17(2)3)38-30(47)24(14-21(34(51)52)35(53)54)39-31(48)25(15-27(44)45)37-19(5)43/h17-18,20-26,28,57H,6-16H2,1-5H3,(H,37,43)(H,38,47)(H,39,48)(H,40,50)(H,41,46)(H,42,49)(H,44,45)(H,51,52)(H,53,54)(H,55,56)/t18-,22-,23-,24+,25-,26-,28-/m0/s1
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0.75n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50366760
PNG
(CHEMBL2369589)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C36H58N6O14S/c1-6-18(4)28(33(50)40-23(13-20-10-8-7-9-11-20)29(46)41-26(16-57)36(55)56)42-32(49)22(12-17(2)3)38-30(47)24(14-21(34(51)52)35(53)54)39-31(48)25(15-27(44)45)37-19(5)43/h17-18,20-26,28,57H,6-16H2,1-5H3,(H,37,43)(H,38,47)(H,39,48)(H,40,50)(H,41,46)(H,42,49)(H,44,45)(H,51,52)(H,53,54)(H,55,56)/t18-,22-,23-,24+,25-,26-,28-/m0/s1
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12n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096410
PNG
(AcAsp-D-Glu-Leu-Glu-Cha-Cys | CHEMBL60967)
Show SMILES CC(C)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](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C34H54N6O14S/c1-17(2)13-22(38-29(48)20(9-11-26(42)43)37-33(52)24(15-28(46)47)35-18(3)41)31(50)36-21(10-12-27(44)45)30(49)39-23(14-19-7-5-4-6-8-19)32(51)40-25(16-55)34(53)54/h17,19-25,55H,4-16H2,1-3H3,(H,35,41)(H,36,50)(H,37,52)(H,38,48)(H,39,49)(H,40,51)(H,42,43)(H,44,45)(H,46,47)(H,53,54)/t20-,21+,22+,23+,24+,25+/m1/s1
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23n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50084685
PNG
(4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...)
Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C43H56N6O14S/c1-24(50)44-31(22-35(55)56)41(60)45-29(18-20-34(53)54)39(58)49-37(36(26-13-7-3-8-14-26)27-15-9-4-10-16-27)42(61)46-28(17-19-33(51)52)38(57)47-30(21-25-11-5-2-6-12-25)40(59)48-32(23-64)43(62)63/h3-4,7-10,13-16,25,28-32,36-37,64H,2,5-6,11-12,17-23H2,1H3,(H,44,50)(H,45,60)(H,46,61)(H,47,57)(H,48,59)(H,49,58)(H,51,52)(H,53,54)(H,55,56)(H,62,63)/t28-,29-,30-,31-,32-,37-/m0/s1
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25n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096411
PNG
(AcAsp-Glu-Dif-Ile-Cha-Cys | CHEMBL61390)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CS)C(O)=O
Show InChI InChI=1S/C44H60N6O12S/c1-4-25(2)37(42(59)47-31(22-27-14-8-5-9-15-27)40(57)48-33(24-63)44(61)62)49-43(60)38(36(28-16-10-6-11-17-28)29-18-12-7-13-19-29)50-39(56)30(20-21-34(52)53)46-41(58)32(23-35(54)55)45-26(3)51/h6-7,10-13,16-19,25,27,30-33,36-38,63H,4-5,8-9,14-15,20-24H2,1-3H3,(H,45,51)(H,46,58)(H,47,59)(H,48,57)(H,49,60)(H,50,56)(H,52,53)(H,54,55)(H,61,62)/t25-,30+,31+,32+,33-,37-,38+/m1/s1
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30n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50084685
PNG
(4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...)
Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C43H56N6O14S/c1-24(50)44-31(22-35(55)56)41(60)45-29(18-20-34(53)54)39(58)49-37(36(26-13-7-3-8-14-26)27-15-9-4-10-16-27)42(61)46-28(17-19-33(51)52)38(57)47-30(21-25-11-5-2-6-12-25)40(59)48-32(23-64)43(62)63/h3-4,7-10,13-16,25,28-32,36-37,64H,2,5-6,11-12,17-23H2,1H3,(H,44,50)(H,45,60)(H,46,61)(H,47,57)(H,48,59)(H,49,58)(H,51,52)(H,53,54)(H,55,56)(H,62,63)/t28-,29-,30-,31-,32-,37-/m0/s1
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41n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096404
PNG
(AcAsp-Glu-Leu-Glu-Cha-Cys | CHEMBL305570)
Show SMILES CC(C)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](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C34H54N6O14S/c1-17(2)13-22(38-29(48)20(9-11-26(42)43)37-33(52)24(15-28(46)47)35-18(3)41)31(50)36-21(10-12-27(44)45)30(49)39-23(14-19-7-5-4-6-8-19)32(51)40-25(16-55)34(53)54/h17,19-25,55H,4-16H2,1-3H3,(H,35,41)(H,36,50)(H,37,52)(H,38,48)(H,39,49)(H,40,51)(H,42,43)(H,44,45)(H,46,47)(H,53,54)/t20-,21-,22-,23-,24-,25-/m0/s1
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60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096405
PNG
(AcAsp-Glu-Met-Glu-Nal-Cyse | CHEMBL64618)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C33H52N6O14S2/c1-17(40)34-23(15-27(45)46)32(51)36-19(8-10-25(41)42)28(47)37-21(12-13-55-2)30(49)35-20(9-11-26(43)44)29(48)38-22(14-18-6-4-3-5-7-18)31(50)39-24(16-54)33(52)53/h18-24,54H,3-16H2,1-2H3,(H,34,40)(H,35,49)(H,36,51)(H,37,47)(H,38,48)(H,39,50)(H,41,42)(H,43,44)(H,45,46)(H,52,53)/t19-,20-,21-,22-,23-,24-/m0/s1
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180n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096410
PNG
(AcAsp-D-Glu-Leu-Glu-Cha-Cys | CHEMBL60967)
Show SMILES CC(C)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](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C34H54N6O14S/c1-17(2)13-22(38-29(48)20(9-11-26(42)43)37-33(52)24(15-28(46)47)35-18(3)41)31(50)36-21(10-12-27(44)45)30(49)39-23(14-19-7-5-4-6-8-19)32(51)40-25(16-55)34(53)54/h17,19-25,55H,4-16H2,1-3H3,(H,35,41)(H,36,50)(H,37,52)(H,38,48)(H,39,49)(H,40,51)(H,42,43)(H,44,45)(H,46,47)(H,53,54)/t20-,21+,22+,23+,24+,25+/m1/s1
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180n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096411
PNG
(AcAsp-Glu-Dif-Ile-Cha-Cys | CHEMBL61390)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CS)C(O)=O
Show InChI InChI=1S/C44H60N6O12S/c1-4-25(2)37(42(59)47-31(22-27-14-8-5-9-15-27)40(57)48-33(24-63)44(61)62)49-43(60)38(36(28-16-10-6-11-17-28)29-18-12-7-13-19-29)50-39(56)30(20-21-34(52)53)46-41(58)32(23-35(54)55)45-26(3)51/h6-7,10-13,16-19,25,27,30-33,36-38,63H,4-5,8-9,14-15,20-24H2,1-3H3,(H,45,51)(H,46,58)(H,47,59)(H,48,57)(H,49,60)(H,50,56)(H,52,53)(H,54,55)(H,61,62)/t25-,30+,31+,32+,33-,37-,38+/m1/s1
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220n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096407
PNG
(AcGlu-Dif-Glu-Cha-Cys | CHEMBL431559)
Show SMILES CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C39H51N5O11S/c1-23(45)40-27(17-19-31(46)47)36(51)44-34(33(25-13-7-3-8-14-25)26-15-9-4-10-16-26)38(53)41-28(18-20-32(48)49)35(50)42-29(21-24-11-5-2-6-12-24)37(52)43-30(22-56)39(54)55/h3-4,7-10,13-16,24,27-30,33-34,56H,2,5-6,11-12,17-22H2,1H3,(H,40,45)(H,41,53)(H,42,50)(H,43,52)(H,44,51)(H,46,47)(H,48,49)(H,54,55)/t27-,28-,29-,30-,34-/m0/s1
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330n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50084634
PNG
(4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C29H44N6O16S2/c1-13(36)30-18(11-23(43)44)28(49)33-15(4-7-21(39)40)25(46)34-17(9-10-53-2)27(48)32-14(3-6-20(37)38)24(45)31-16(5-8-22(41)42)26(47)35-19(12-52)29(50)51/h14-19,52H,3-12H2,1-2H3,(H,30,36)(H,31,45)(H,32,48)(H,33,49)(H,34,46)(H,35,47)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,50,51)/t14-,15-,16-,17-,18-,19-/m0/s1
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360n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096409
PNG
(AcAsp-Glu-Met-Glu-Cha-Cys | CHEMBL64867)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C37H48N6O14S2/c1-19(44)38-27(17-31(49)50)36(55)40-23(9-11-29(45)46)32(51)41-25(13-14-59-2)34(53)39-24(10-12-30(47)48)33(52)42-26(35(54)43-28(18-58)37(56)57)16-20-7-8-21-5-3-4-6-22(21)15-20/h3-8,15,23-28,58H,9-14,16-18H2,1-2H3,(H,38,44)(H,39,53)(H,40,55)(H,41,51)(H,42,52)(H,43,54)(H,45,46)(H,47,48)(H,49,50)(H,56,57)/t23-,24-,25-,26-,27-,28-/m0/s1
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400n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096409
PNG
(AcAsp-Glu-Met-Glu-Cha-Cys | CHEMBL64867)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C37H48N6O14S2/c1-19(44)38-27(17-31(49)50)36(55)40-23(9-11-29(45)46)32(51)41-25(13-14-59-2)34(53)39-24(10-12-30(47)48)33(52)42-26(35(54)43-28(18-58)37(56)57)16-20-7-8-21-5-3-4-6-22(21)15-20/h3-8,15,23-28,58H,9-14,16-18H2,1-2H3,(H,38,44)(H,39,53)(H,40,55)(H,41,51)(H,42,52)(H,43,54)(H,45,46)(H,47,48)(H,49,50)(H,56,57)/t23-,24-,25-,26-,27-,28-/m0/s1
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440n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096404
PNG
(AcAsp-Glu-Leu-Glu-Cha-Cys | CHEMBL305570)
Show SMILES CC(C)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](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C34H54N6O14S/c1-17(2)13-22(38-29(48)20(9-11-26(42)43)37-33(52)24(15-28(46)47)35-18(3)41)31(50)36-21(10-12-27(44)45)30(49)39-23(14-19-7-5-4-6-8-19)32(51)40-25(16-55)34(53)54/h17,19-25,55H,4-16H2,1-3H3,(H,35,41)(H,36,50)(H,37,52)(H,38,48)(H,39,49)(H,40,51)(H,42,43)(H,44,45)(H,46,47)(H,53,54)/t20-,21-,22-,23-,24-,25-/m0/s1
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490n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50084634
PNG
(4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C29H44N6O16S2/c1-13(36)30-18(11-23(43)44)28(49)33-15(4-7-21(39)40)25(46)34-17(9-10-53-2)27(48)32-14(3-6-20(37)38)24(45)31-16(5-8-22(41)42)26(47)35-19(12-52)29(50)51/h14-19,52H,3-12H2,1-2H3,(H,30,36)(H,31,45)(H,32,48)(H,33,49)(H,34,46)(H,35,47)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,50,51)/t14-,15-,16-,17-,18-,19-/m0/s1
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500n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096407
PNG
(AcGlu-Dif-Glu-Cha-Cys | CHEMBL431559)
Show SMILES CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C39H51N5O11S/c1-23(45)40-27(17-19-31(46)47)36(51)44-34(33(25-13-7-3-8-14-25)26-15-9-4-10-16-26)38(53)41-28(18-20-32(48)49)35(50)42-29(21-24-11-5-2-6-12-24)37(52)43-30(22-56)39(54)55/h3-4,7-10,13-16,24,27-30,33-34,56H,2,5-6,11-12,17-22H2,1H3,(H,40,45)(H,41,53)(H,42,50)(H,43,52)(H,44,51)(H,46,47)(H,48,49)(H,54,55)/t27-,28-,29-,30-,34-/m0/s1
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700n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096412
PNG
(AcGlu-Dif-Ile-Cha-Cys | CHEMBL304005)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CS)C(O)=O
Show InChI InChI=1S/C40H55N5O9S/c1-4-24(2)34(38(51)42-30(22-26-14-8-5-9-15-26)37(50)43-31(23-55)40(53)54)44-39(52)35(45-36(49)29(41-25(3)46)20-21-32(47)48)33(27-16-10-6-11-17-27)28-18-12-7-13-19-28/h6-7,10-13,16-19,24,26,29-31,33-35,55H,4-5,8-9,14-15,20-23H2,1-3H3,(H,41,46)(H,42,51)(H,43,50)(H,44,52)(H,45,49)(H,47,48)(H,53,54)/t24-,29+,30+,31-,34-,35+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096405
PNG
(AcAsp-Glu-Met-Glu-Nal-Cyse | CHEMBL64618)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C33H52N6O14S2/c1-17(40)34-23(15-27(45)46)32(51)36-19(8-10-25(41)42)28(47)37-21(12-13-55-2)30(49)35-20(9-11-26(43)44)29(48)38-22(14-18-6-4-3-5-7-18)31(50)39-24(16-54)33(52)53/h18-24,54H,3-16H2,1-2H3,(H,34,40)(H,35,49)(H,36,51)(H,37,47)(H,38,48)(H,39,50)(H,41,42)(H,43,44)(H,45,46)(H,52,53)/t19-,20-,21-,22-,23-,24-/m0/s1
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1.04E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096401
PNG
(AcDif-Glu-Cha-Cys | CHEMBL62433)
Show SMILES CC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C34H44N4O8S/c1-21(39)35-30(29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)33(44)36-25(17-18-28(40)41)31(42)37-26(19-22-11-5-2-6-12-22)32(43)38-27(20-47)34(45)46/h3-4,7-10,13-16,22,25-27,29-30,47H,2,5-6,11-12,17-20H2,1H3,(H,35,39)(H,36,44)(H,37,42)(H,38,43)(H,40,41)(H,45,46)/t25-,26-,27-,30-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096412
PNG
(AcGlu-Dif-Ile-Cha-Cys | CHEMBL304005)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CS)C(O)=O
Show InChI InChI=1S/C40H55N5O9S/c1-4-24(2)34(38(51)42-30(22-26-14-8-5-9-15-26)37(50)43-31(23-55)40(53)54)44-39(52)35(45-36(49)29(41-25(3)46)20-21-32(47)48)33(27-16-10-6-11-17-27)28-18-12-7-13-19-28/h6-7,10-13,16-19,24,26,29-31,33-35,55H,4-5,8-9,14-15,20-23H2,1-3H3,(H,41,46)(H,42,51)(H,43,50)(H,44,52)(H,45,49)(H,47,48)(H,53,54)/t24-,29+,30+,31-,34-,35+/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096413
PNG
(AcAsp-Glu-Dif-Lys-Cha-Cys | CHEMBL294440)
Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C44H61N7O12S/c1-26(52)46-33(24-36(55)56)42(60)47-31(20-21-35(53)54)40(58)51-38(37(28-15-7-3-8-16-28)29-17-9-4-10-18-29)43(61)48-30(19-11-12-22-45)39(57)49-32(23-27-13-5-2-6-14-27)41(59)50-34(25-64)44(62)63/h3-4,7-10,15-18,27,30-34,37-38,64H,2,5-6,11-14,19-25,45H2,1H3,(H,46,52)(H,47,60)(H,48,61)(H,49,57)(H,50,59)(H,51,58)(H,53,54)(H,55,56)(H,62,63)/t30-,31-,32-,33-,34-,38-/m0/s1
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1.24E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096402
PNG
(Asp-D-Glu-Leu-Glu-Cha-Cys | CHEMBL303541)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C32H52N6O13S/c1-16(2)12-21(36-28(46)19(8-10-24(39)40)34-27(45)18(33)14-26(43)44)30(48)35-20(9-11-25(41)42)29(47)37-22(13-17-6-4-3-5-7-17)31(49)38-23(15-52)32(50)51/h16-23,52H,3-15,33H2,1-2H3,(H,34,45)(H,35,48)(H,36,46)(H,37,47)(H,38,49)(H,39,40)(H,41,42)(H,43,44)(H,50,51)/t18-,19+,20-,21-,22-,23-/m0/s1
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1.54E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096408
PNG
(AcDif-Ile-Cha-Cys | CHEMBL293631)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CS)C(O)=O
Show InChI InChI=1S/C35H48N4O6S/c1-4-22(2)30(33(42)37-27(20-24-14-8-5-9-15-24)32(41)38-28(21-46)35(44)45)39-34(43)31(36-23(3)40)29(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h6-7,10-13,16-19,22,24,27-31,46H,4-5,8-9,14-15,20-21H2,1-3H3,(H,36,40)(H,37,42)(H,38,41)(H,39,43)(H,44,45)/t22-,27+,28-,30-,31+/m1/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096406
PNG
(Ac-Glu-Cha-Cys | CHEMBL303340)
Show SMILES CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C19H31N3O7S/c1-11(23)20-13(7-8-16(24)25)17(26)21-14(9-12-5-3-2-4-6-12)18(27)22-15(10-30)19(28)29/h12-15,30H,2-10H2,1H3,(H,20,23)(H,21,26)(H,22,27)(H,24,25)(H,28,29)/t13-,14-,15-/m0/s1
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4.10E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096401
PNG
(AcDif-Glu-Cha-Cys | CHEMBL62433)
Show SMILES CC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C34H44N4O8S/c1-21(39)35-30(29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)33(44)36-25(17-18-28(40)41)31(42)37-26(19-22-11-5-2-6-12-22)32(43)38-27(20-47)34(45)46/h3-4,7-10,13-16,22,25-27,29-30,47H,2,5-6,11-12,17-20H2,1H3,(H,35,39)(H,36,44)(H,37,42)(H,38,43)(H,40,41)(H,45,46)/t25-,26-,27-,30-/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096403
PNG
(AcIle-Cha-Cys | CHEMBL60512)
Show SMILES CC[C@@H](C)[C@@H](NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CS)C(O)=O
Show InChI InChI=1S/C20H35N3O5S/c1-4-12(2)17(21-13(3)24)19(26)22-15(10-14-8-6-5-7-9-14)18(25)23-16(11-29)20(27)28/h12,14-17,29H,4-11H2,1-3H3,(H,21,24)(H,22,26)(H,23,25)(H,27,28)/t12-,15+,16-,17-/m1/s1
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2.50E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096408
PNG
(AcDif-Ile-Cha-Cys | CHEMBL293631)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CS)C(O)=O
Show InChI InChI=1S/C35H48N4O6S/c1-4-22(2)30(33(42)37-27(20-24-14-8-5-9-15-24)32(41)38-28(21-46)35(44)45)39-34(43)31(36-23(3)40)29(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h6-7,10-13,16-19,22,24,27-31,46H,4-5,8-9,14-15,20-21H2,1-3H3,(H,36,40)(H,37,42)(H,38,41)(H,39,43)(H,44,45)/t22-,27+,28-,30-,31+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50096406
PNG
(Ac-Glu-Cha-Cys | CHEMBL303340)
Show SMILES CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C19H31N3O7S/c1-11(23)20-13(7-8-16(24)25)17(26)21-14(9-12-5-3-2-4-6-12)18(27)22-15(10-30)19(28)29/h12-15,30H,2-10H2,1H3,(H,20,23)(H,21,26)(H,22,27)(H,24,25)(H,28,29)/t13-,14-,15-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30E+5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


Bioorg Med Chem Lett 11: 203-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00625-9
BindingDB Entry DOI: 10.7270/Q26Q1XSK
More data for this
Ligand-Target Pair