Found 42 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Genome polyprotein
(Hepatitis C virus) | BDBM50111054
(Azapeptide | CHEMBL216755)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)OC(Cl)C(Cl)(Cl)Cl Show InChI InChI=1S/C40H61Cl4N9O17/c1-8-13-53(39(69)70-38(41)40(42,43)44)51-34(65)24-10-9-14-52(24)37(68)29(18(4)5)49-35(66)28(17(2)3)48-33(64)23(16-27(60)61)47-31(62)21(11-12-25(56)57)46-36(67)30(19(6)54)50-32(63)22(15-26(58)59)45-20(7)55/h17-19,21-24,28-30,38,54H,8-16H2,1-7H3,(H,45,55)(H,46,67)(H,47,62)(H,48,64)(H,49,66)(H,50,63)(H,51,65)(H,56,57)(H,58,59)(H,60,61)/t19-,21+,22+,23+,24-,28+,29+,30+,38?/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111042
(Azapeptide | CHEMBL414008)Show SMILES CCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)OC(Cl)C(Cl)(Cl)Cl Show InChI InChI=1S/C39H59Cl4N9O17/c1-8-52(38(68)69-37(40)39(41,42)43)50-33(64)23-10-9-13-51(23)36(67)28(17(4)5)48-34(65)27(16(2)3)47-32(63)22(15-26(59)60)46-30(61)20(11-12-24(55)56)45-35(66)29(18(6)53)49-31(62)21(14-25(57)58)44-19(7)54/h16-18,20-23,27-29,37,53H,8-15H2,1-7H3,(H,44,54)(H,45,66)(H,46,61)(H,47,63)(H,48,65)(H,49,62)(H,50,64)(H,55,56)(H,57,58)(H,59,60)/t18-,20+,21+,22+,23-,27+,28+,29+,37?/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111072
(Azapeptide | CHEMBL263608)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C44H64N10O19/c1-8-17-53(44(70)73-26-13-11-25(12-14-26)54(71)72)51-40(66)30-10-9-18-52(30)43(69)35(22(4)5)49-41(67)34(21(2)3)48-39(65)29(20-33(61)62)47-37(63)27(15-16-31(57)58)46-42(68)36(23(6)55)50-38(64)28(19-32(59)60)45-24(7)56/h11-14,21-23,27-30,34-36,55H,8-10,15-20H2,1-7H3,(H,45,56)(H,46,68)(H,47,63)(H,48,65)(H,49,67)(H,50,64)(H,51,66)(H,57,58)(H,59,60)(H,61,62)/t23-,27+,28+,29+,30-,34+,35+,36+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111072
(Azapeptide | CHEMBL263608)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C44H64N10O19/c1-8-17-53(44(70)73-26-13-11-25(12-14-26)54(71)72)51-40(66)30-10-9-18-52(30)43(69)35(22(4)5)49-41(67)34(21(2)3)48-39(65)29(20-33(61)62)47-37(63)27(15-16-31(57)58)46-42(68)36(23(6)55)50-38(64)28(19-32(59)60)45-24(7)56/h11-14,21-23,27-30,34-36,55H,8-10,15-20H2,1-7H3,(H,45,56)(H,46,68)(H,47,63)(H,48,65)(H,49,67)(H,50,64)(H,51,66)(H,57,58)(H,59,60)(H,61,62)/t23-,27+,28+,29+,30-,34+,35+,36+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity against NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111076
(Azapeptide | CHEMBL6873)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(C)C)C(C)C)C(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C36H52N8O14/c1-7-16-43(36(55)58-23-12-10-22(11-13-23)44(56)57)41-33(52)26-9-8-17-42(26)35(54)30(20(4)5)40-34(53)29(19(2)3)39-32(51)25(18-28(48)49)38-31(50)24(37-21(6)45)14-15-27(46)47/h10-13,19-20,24-26,29-30H,7-9,14-18H2,1-6H3,(H,37,45)(H,38,50)(H,39,51)(H,40,53)(H,41,52)(H,46,47)(H,48,49)/t24-,25-,26+,29-,30-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111053
(Azapeptide | CHEMBL6360)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C(C)C)C(C)C)C(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C31H45N7O11/c1-7-14-37(31(46)49-21-12-10-20(11-13-21)38(47)48)35-28(43)23-9-8-15-36(23)30(45)26(18(4)5)34-29(44)25(17(2)3)33-27(42)22(16-24(40)41)32-19(6)39/h10-13,17-18,22-23,25-26H,7-9,14-16H2,1-6H3,(H,32,39)(H,33,42)(H,34,44)(H,35,43)(H,40,41)/t22-,23+,25-,26-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111075
(Azapeptide | CHEMBL6738)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C40H59N9O16/c1-8-17-48(40(62)65-25-13-11-24(12-14-25)49(63)64)46-36(58)28-10-9-18-47(28)39(61)32(21(4)5)45-37(59)31(20(2)3)44-35(57)27(19-30(54)55)43-34(56)26(15-16-29(52)53)42-38(60)33(22(6)50)41-23(7)51/h11-14,20-22,26-28,31-33,50H,8-10,15-19H2,1-7H3,(H,41,51)(H,42,60)(H,43,56)(H,44,57)(H,45,59)(H,46,58)(H,52,53)(H,54,55)/t22-,26+,27+,28-,31+,32+,33+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Michaelis-Menten constant was determined against Hepatitis C virus NS3 protease and represented as Km |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111074
(Azapeptide | CHEMBL262528)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc1ccccc1 Show InChI InChI=1S/C44H65N9O17/c1-8-18-53(44(69)70-26-13-10-9-11-14-26)51-40(65)30-15-12-19-52(30)43(68)35(23(4)5)49-41(66)34(22(2)3)48-39(64)29(21-33(60)61)47-37(62)27(16-17-31(56)57)46-42(67)36(24(6)54)50-38(63)28(20-32(58)59)45-25(7)55/h9-11,13-14,22-24,27-30,34-36,54H,8,12,15-21H2,1-7H3,(H,45,55)(H,46,67)(H,47,62)(H,48,64)(H,49,66)(H,50,63)(H,51,65)(H,56,57)(H,58,59)(H,60,61)/t24-,27+,28+,29+,30-,34+,35+,36+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111051
(Azapeptide | CHEMBL387089)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C44H64N10O19/c1-8-17-53(44(70)73-30-14-10-9-12-28(30)54(71)72)51-40(66)29-13-11-18-52(29)43(69)35(22(4)5)49-41(67)34(21(2)3)48-39(65)27(20-33(61)62)47-37(63)25(15-16-31(57)58)46-42(68)36(23(6)55)50-38(64)26(19-32(59)60)45-24(7)56/h9-10,12,14,21-23,25-27,29,34-36,55H,8,11,13,15-20H2,1-7H3,(H,45,56)(H,46,68)(H,47,63)(H,48,65)(H,49,67)(H,50,64)(H,51,66)(H,57,58)(H,59,60)(H,61,62)/t23-,25+,26+,27+,29-,34+,35+,36+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111044
(Ac-Asp-Thr-Glu-Asp-Val-Val-Pro-(AzaNva)-Ser-Met-Se...)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C85H128N20O31S/c1-11-29-105(103-78(128)60-20-16-30-104(60)83(133)66(41(4)5)99-80(130)65(40(2)3)98-75(125)57(35-64(118)119)94-70(120)51(25-26-62(114)115)92-81(131)68(43(7)109)102-74(124)56(34-63(116)117)89-45(9)111)85(136)97-59(39-107)77(127)91-52(27-31-137-10)71(121)96-58(38-106)76(126)93-54(32-46-21-23-48(112)24-22-46)72(122)101-69(44(8)110)82(132)95-55(33-47-36-87-50-18-13-12-17-49(47)50)73(123)100-67(42(6)108)79(129)88-37-61(113)90-53(84(134)135)19-14-15-28-86/h12-13,17-18,21-24,36,40-44,51-60,65-69,87,106-110,112H,11,14-16,19-20,25-35,37-39,86H2,1-10H3,(H,88,129)(H,89,111)(H,90,113)(H,91,127)(H,92,131)(H,93,126)(H,94,120)(H,95,132)(H,96,121)(H,97,136)(H,98,125)(H,99,130)(H,100,123)(H,101,122)(H,102,124)(H,103,128)(H,114,115)(H,116,117)(H,118,119)(H,134,135)/t42-,43-,44-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60-,65+,66+,67+,68+,69+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111065
(Azapeptide | CHEMBL6751)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)OCC(Cl)(Cl)Cl Show InChI InChI=1S/C40H62Cl3N9O17/c1-8-13-52(39(68)69-17-40(41,42)43)50-35(64)25-10-9-14-51(25)38(67)30(19(4)5)48-36(65)29(18(2)3)47-34(63)24(16-28(59)60)46-32(61)22(11-12-26(55)56)45-37(66)31(20(6)53)49-33(62)23(15-27(57)58)44-21(7)54/h18-20,22-25,29-31,53H,8-17H2,1-7H3,(H,44,54)(H,45,66)(H,46,61)(H,47,63)(H,48,65)(H,49,62)(H,50,64)(H,55,56)(H,57,58)(H,59,60)/t20-,22+,23+,24+,25-,29+,30+,31+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111069
(Azapeptide | CHEMBL413262)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc1ccc(Cl)cc1 Show InChI InChI=1S/C44H64ClN9O17/c1-8-17-54(44(70)71-26-13-11-25(45)12-14-26)52-40(66)30-10-9-18-53(30)43(69)35(22(4)5)50-41(67)34(21(2)3)49-39(65)29(20-33(61)62)48-37(63)27(15-16-31(57)58)47-42(68)36(23(6)55)51-38(64)28(19-32(59)60)46-24(7)56/h11-14,21-23,27-30,34-36,55H,8-10,15-20H2,1-7H3,(H,46,56)(H,47,68)(H,48,63)(H,49,65)(H,50,67)(H,51,64)(H,52,66)(H,57,58)(H,59,60)(H,61,62)/t23-,27+,28+,29+,30-,34+,35+,36+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111071
(Ac-Glu-Asp-Val-Val-Pro-(AzaNva)-Ser-Met-Ser-Tyr-Th...)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C77H116N18O26S/c1-10-28-95(93-71(114)56-19-15-29-94(56)75(118)61(39(4)5)90-73(116)60(38(2)3)89-68(111)53(33-59(105)106)85-64(107)48(81-42(8)100)24-25-58(103)104)77(121)88-55(37-97)70(113)83-49(26-30-122-9)65(108)87-54(36-96)69(112)84-51(31-43-20-22-45(101)23-21-43)66(109)92-63(41(7)99)74(117)86-52(32-44-34-79-47-17-12-11-16-46(44)47)67(110)91-62(40(6)98)72(115)80-35-57(102)82-50(76(119)120)18-13-14-27-78/h11-12,16-17,20-23,34,38-41,48-56,60-63,79,96-99,101H,10,13-15,18-19,24-33,35-37,78H2,1-9H3,(H,80,115)(H,81,100)(H,82,102)(H,83,113)(H,84,112)(H,85,107)(H,86,117)(H,87,108)(H,88,121)(H,89,111)(H,90,116)(H,91,110)(H,92,109)(H,93,114)(H,103,104)(H,105,106)(H,119,120)/t40-,41-,48+,49+,50+,51+,52+,53+,54+,55+,56-,60+,61+,62+,63+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111067
(Asp-Thr-Glu-Asp-Val-Val-Pro-(AzaNva)-Ser-Met-Ser-T...)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C83H126N20O30S/c1-10-28-103(101-76(125)58-19-15-29-102(58)81(130)64(40(4)5)97-78(127)63(39(2)3)96-73(122)55(34-62(115)116)92-69(118)50(24-25-60(111)112)90-79(128)66(42(7)107)98-68(117)48(85)33-61(113)114)83(133)95-57(38-105)75(124)89-51(26-30-134-9)70(119)94-56(37-104)74(123)91-53(31-44-20-22-46(109)23-21-44)71(120)100-67(43(8)108)80(129)93-54(32-45-35-86-49-17-12-11-16-47(45)49)72(121)99-65(41(6)106)77(126)87-36-59(110)88-52(82(131)132)18-13-14-27-84/h11-12,16-17,20-23,35,39-43,48,50-58,63-67,86,104-109H,10,13-15,18-19,24-34,36-38,84-85H2,1-9H3,(H,87,126)(H,88,110)(H,89,124)(H,90,128)(H,91,123)(H,92,118)(H,93,129)(H,94,119)(H,95,133)(H,96,122)(H,97,127)(H,98,117)(H,99,121)(H,100,120)(H,101,125)(H,111,112)(H,113,114)(H,115,116)(H,131,132)/t41-,42-,43-,48+,50+,51+,52+,53+,54+,55+,56+,57+,58-,63+,64+,65+,66+,67+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111057
(Azapeptide | CHEMBL265570)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)OCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C45H66N10O19/c1-8-17-54(45(71)74-21-26-11-13-27(14-12-26)55(72)73)52-41(67)31-10-9-18-53(31)44(70)36(23(4)5)50-42(68)35(22(2)3)49-40(66)30(20-34(62)63)48-38(64)28(15-16-32(58)59)47-43(69)37(24(6)56)51-39(65)29(19-33(60)61)46-25(7)57/h11-14,22-24,28-31,35-37,56H,8-10,15-21H2,1-7H3,(H,46,57)(H,47,69)(H,48,64)(H,49,66)(H,50,68)(H,51,65)(H,52,67)(H,58,59)(H,60,61)(H,62,63)/t24-,28+,29+,30+,31-,35+,36+,37+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111039
(Azapeptide | CHEMBL268985)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C45H67N9O17/c1-8-18-54(45(70)71-22-27-13-10-9-11-14-27)52-41(66)31-15-12-19-53(31)44(69)36(24(4)5)50-42(67)35(23(2)3)49-40(65)30(21-34(61)62)48-38(63)28(16-17-32(57)58)47-43(68)37(25(6)55)51-39(64)29(20-33(59)60)46-26(7)56/h9-11,13-14,23-25,28-31,35-37,55H,8,12,15-22H2,1-7H3,(H,46,56)(H,47,68)(H,48,63)(H,49,65)(H,50,67)(H,51,64)(H,52,66)(H,57,58)(H,59,60)(H,61,62)/t25-,28+,29+,30+,31-,35+,36+,37+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111064
(Azapeptide | CHEMBL384151)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)Sc1ccc(Cl)cc1 Show InChI InChI=1S/C44H64ClN9O16S/c1-8-17-54(44(70)71-26-13-11-25(45)12-14-26)52-40(66)30-10-9-18-53(30)43(69)35(22(4)5)50-41(67)34(21(2)3)49-39(65)29(20-33(61)62)48-37(63)27(15-16-31(57)58)47-42(68)36(23(6)55)51-38(64)28(19-32(59)60)46-24(7)56/h11-14,21-23,27-30,34-36,55H,8-10,15-20H2,1-7H3,(H,46,56)(H,47,68)(H,48,63)(H,49,65)(H,50,67)(H,51,64)(H,52,66)(H,57,58)(H,59,60)(H,61,62)/t23-,27+,28+,29+,30-,34+,35+,36+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111056
(Azapeptide | CHEMBL384261)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C44H64N10O18/c1-8-17-53(43(69)25-11-13-26(14-12-25)54(71)72)51-40(66)30-10-9-18-52(30)44(70)35(22(4)5)49-41(67)34(21(2)3)48-39(65)29(20-33(61)62)47-37(63)27(15-16-31(57)58)46-42(68)36(23(6)55)50-38(64)28(19-32(59)60)45-24(7)56/h11-14,21-23,27-30,34-36,55H,8-10,15-20H2,1-7H3,(H,45,56)(H,46,68)(H,47,63)(H,48,65)(H,49,67)(H,50,64)(H,51,66)(H,57,58)(H,59,60)(H,61,62)/t23-,27+,28+,29+,30-,34+,35+,36+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111060
(Azapeptide | CHEMBL266539)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)CC Show InChI InChI=1S/C40H65N9O16/c1-9-15-49(27(52)10-2)47-37(62)26-12-11-16-48(26)40(65)32(20(5)6)45-38(63)31(19(3)4)44-36(61)25(18-30(57)58)43-34(59)23(13-14-28(53)54)42-39(64)33(21(7)50)46-35(60)24(17-29(55)56)41-22(8)51/h19-21,23-26,31-33,50H,9-18H2,1-8H3,(H,41,51)(H,42,64)(H,43,59)(H,44,61)(H,45,63)(H,46,60)(H,47,62)(H,53,54)(H,55,56)(H,57,58)/t21-,23+,24+,25+,26-,31+,32+,33+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111070
(Azapeptide | CHEMBL428313)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)S(=O)(=O)CCl Show InChI InChI=1S/C38H62ClN9O17S/c1-8-13-48(66(64,65)17-39)46-35(60)25-10-9-14-47(25)38(63)30(19(4)5)44-36(61)29(18(2)3)43-34(59)24(16-28(55)56)42-32(57)22(11-12-26(51)52)41-37(62)31(20(6)49)45-33(58)23(15-27(53)54)40-21(7)50/h18-20,22-25,29-31,49H,8-17H2,1-7H3,(H,40,50)(H,41,62)(H,42,57)(H,43,59)(H,44,61)(H,45,58)(H,46,60)(H,51,52)(H,53,54)(H,55,56)/t20-,22+,23+,24+,25-,29+,30+,31+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111077
(Azapeptide | CHEMBL263697)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C44H60F5N9O16/c1-8-13-58(43(73)28-29(45)31(47)33(49)32(48)30(28)46)56-40(70)24-10-9-14-57(24)44(74)35(18(4)5)54-41(71)34(17(2)3)53-39(69)23(16-27(65)66)52-37(67)21(11-12-25(61)62)51-42(72)36(19(6)59)55-38(68)22(15-26(63)64)50-20(7)60/h17-19,21-24,34-36,59H,8-16H2,1-7H3,(H,50,60)(H,51,72)(H,52,67)(H,53,69)(H,54,71)(H,55,68)(H,56,70)(H,61,62)(H,63,64)(H,65,66)/t19-,21+,22+,23+,24-,34+,35+,36+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111045
(Azapeptide | CHEMBL216130)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C44H63N11O20/c1-8-13-53(43(70)24-15-25(54(72)73)17-26(16-24)55(74)75)51-40(67)30-10-9-14-52(30)44(71)35(21(4)5)49-41(68)34(20(2)3)48-39(66)29(19-33(62)63)47-37(64)27(11-12-31(58)59)46-42(69)36(22(6)56)50-38(65)28(18-32(60)61)45-23(7)57/h15-17,20-22,27-30,34-36,56H,8-14,18-19H2,1-7H3,(H,45,57)(H,46,69)(H,47,64)(H,48,66)(H,49,68)(H,50,65)(H,51,67)(H,58,59)(H,60,61)(H,62,63)/t22-,27+,28+,29+,30-,34+,35+,36+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111049
(Azapeptide | CHEMBL386851)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C50H69N9O16/c1-8-22-59(49(74)32-18-16-31(17-19-32)30-13-10-9-11-14-30)57-46(71)36-15-12-23-58(36)50(75)41(27(4)5)55-47(72)40(26(2)3)54-45(70)35(25-39(66)67)53-43(68)33(20-21-37(62)63)52-48(73)42(28(6)60)56-44(69)34(24-38(64)65)51-29(7)61/h9-11,13-14,16-19,26-28,33-36,40-42,60H,8,12,15,20-25H2,1-7H3,(H,51,61)(H,52,73)(H,53,68)(H,54,70)(H,55,72)(H,56,69)(H,57,71)(H,62,63)(H,64,65)(H,66,67)/t28-,33+,34+,35+,36-,40+,41+,42+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111040
(Azapeptide | CHEMBL383935)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)c1ccc(cc1)\N=N/c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C50H68N12O18/c1-8-21-61(49(77)29-11-13-30(14-12-29)57-58-31-15-17-32(18-16-31)62(79)80)59-46(74)36-10-9-22-60(36)50(78)41(26(4)5)55-47(75)40(25(2)3)54-45(73)35(24-39(69)70)53-43(71)33(19-20-37(65)66)52-48(76)42(27(6)63)56-44(72)34(23-38(67)68)51-28(7)64/h11-18,25-27,33-36,40-42,63H,8-10,19-24H2,1-7H3,(H,51,64)(H,52,76)(H,53,71)(H,54,73)(H,55,75)(H,56,72)(H,59,74)(H,65,66)(H,67,68)(H,69,70)/b58-57-/t27-,33+,34+,35+,36-,40+,41+,42+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111073
(Azapeptide | CHEMBL413721)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C46H63F6N9O16/c1-8-13-61(43(76)24-15-25(45(47,48)49)17-26(16-24)46(50,51)52)59-40(73)30-10-9-14-60(30)44(77)35(21(4)5)57-41(74)34(20(2)3)56-39(72)29(19-33(68)69)55-37(70)27(11-12-31(64)65)54-42(75)36(22(6)62)58-38(71)28(18-32(66)67)53-23(7)63/h15-17,20-22,27-30,34-36,62H,8-14,18-19H2,1-7H3,(H,53,63)(H,54,75)(H,55,70)(H,56,72)(H,57,74)(H,58,71)(H,59,73)(H,64,65)(H,66,67)(H,68,69)/t22-,27+,28+,29+,30-,34+,35+,36+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111047
(Azapeptide | CHEMBL6559)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)CCC Show InChI InChI=1S/C41H67N9O16/c1-9-12-28(53)50(16-10-2)48-38(63)27-13-11-17-49(27)41(66)33(21(5)6)46-39(64)32(20(3)4)45-37(62)26(19-31(58)59)44-35(60)24(14-15-29(54)55)43-40(65)34(22(7)51)47-36(61)25(18-30(56)57)42-23(8)52/h20-22,24-27,32-34,51H,9-19H2,1-8H3,(H,42,52)(H,43,65)(H,44,60)(H,45,62)(H,46,64)(H,47,61)(H,48,63)(H,54,55)(H,56,57)(H,58,59)/t22-,24+,25+,26+,27-,32+,33+,34+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111046
(Azapeptide | CHEMBL6520)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)C(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C27H40N6O8/c1-7-14-32(27(38)41-20-12-10-19(11-13-20)33(39)40)30-24(35)21-9-8-15-31(21)26(37)23(17(4)5)29-25(36)22(16(2)3)28-18(6)34/h10-13,16-17,21-23H,7-9,14-15H2,1-6H3,(H,28,34)(H,29,36)(H,30,35)/t21-,22+,23+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111037
(Azapeptide | CHEMBL267166)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)C(=O)OCC Show InChI InChI=1S/C41H65N9O18/c1-9-15-50(40(66)41(67)68-10-2)48-36(62)26-12-11-16-49(26)39(65)31(20(5)6)46-37(63)30(19(3)4)45-35(61)25(18-29(57)58)44-33(59)23(13-14-27(53)54)43-38(64)32(21(7)51)47-34(60)24(17-28(55)56)42-22(8)52/h19-21,23-26,30-32,51H,9-18H2,1-8H3,(H,42,52)(H,43,64)(H,44,59)(H,45,61)(H,46,63)(H,47,60)(H,48,62)(H,53,54)(H,55,56)(H,57,58)/t21-,23+,24+,25+,26-,30+,31+,32+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111041
(Azapeptide | CHEMBL217439)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C45H64N10O16/c1-8-17-55(44(70)27-13-11-26(21-46)12-14-27)53-41(67)31-10-9-18-54(31)45(71)36(23(4)5)51-42(68)35(22(2)3)50-40(66)30(20-34(62)63)49-38(64)28(15-16-32(58)59)48-43(69)37(24(6)56)52-39(65)29(19-33(60)61)47-25(7)57/h11-14,22-24,28-31,35-37,56H,8-10,15-20H2,1-7H3,(H,47,57)(H,48,69)(H,49,64)(H,50,66)(H,51,68)(H,52,65)(H,53,67)(H,58,59)(H,60,61)(H,62,63)/t24-,28+,29+,30+,31-,35+,36+,37+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111038
(Azapeptide | CHEMBL268628)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)CCl Show InChI InChI=1S/C39H62ClN9O16/c1-8-13-49(26(52)17-40)47-36(62)25-10-9-14-48(25)39(65)31(19(4)5)45-37(63)30(18(2)3)44-35(61)24(16-29(57)58)43-33(59)22(11-12-27(53)54)42-38(64)32(20(6)50)46-34(60)23(15-28(55)56)41-21(7)51/h18-20,22-25,30-32,50H,8-17H2,1-7H3,(H,41,51)(H,42,64)(H,43,59)(H,44,61)(H,45,63)(H,46,60)(H,47,62)(H,53,54)(H,55,56)(H,57,58)/t20-,22+,23+,24+,25-,30+,31+,32+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111066
(Azapeptide | CHEMBL267165)Show SMILES CCCCC(=O)N(CCC)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C Show InChI InChI=1S/C42H69N9O16/c1-9-11-14-29(54)51(17-10-2)49-39(64)28-13-12-18-50(28)42(67)34(22(5)6)47-40(65)33(21(3)4)46-38(63)27(20-32(59)60)45-36(61)25(15-16-30(55)56)44-41(66)35(23(7)52)48-37(62)26(19-31(57)58)43-24(8)53/h21-23,25-28,33-35,52H,9-20H2,1-8H3,(H,43,53)(H,44,66)(H,45,61)(H,46,63)(H,47,65)(H,48,62)(H,49,64)(H,55,56)(H,57,58)(H,59,60)/t23-,25+,26+,27+,28-,33+,34+,35+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111043
(Azapeptide | CHEMBL6679)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)CBr Show InChI InChI=1S/C39H62BrN9O16/c1-8-13-49(26(52)17-40)47-36(62)25-10-9-14-48(25)39(65)31(19(4)5)45-37(63)30(18(2)3)44-35(61)24(16-29(57)58)43-33(59)22(11-12-27(53)54)42-38(64)32(20(6)50)46-34(60)23(15-28(55)56)41-21(7)51/h18-20,22-25,30-32,50H,8-17H2,1-7H3,(H,41,51)(H,42,64)(H,43,59)(H,44,61)(H,45,63)(H,46,60)(H,47,62)(H,53,54)(H,55,56)(H,57,58)/t20-,22+,23+,24+,25-,30+,31+,32+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111055
(Azapeptide | CHEMBL438993)Show SMILES CCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C43H62N10O19/c1-8-52(43(69)72-25-13-11-24(12-14-25)53(70)71)50-39(65)29-10-9-17-51(29)42(68)34(21(4)5)48-40(66)33(20(2)3)47-38(64)28(19-32(60)61)46-36(62)26(15-16-30(56)57)45-41(67)35(22(6)54)49-37(63)27(18-31(58)59)44-23(7)55/h11-14,20-22,26-29,33-35,54H,8-10,15-19H2,1-7H3,(H,44,55)(H,45,67)(H,46,62)(H,47,64)(H,48,66)(H,49,63)(H,50,65)(H,56,57)(H,58,59)(H,60,61)/t22-,26+,27+,28+,29-,33+,34+,35+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111059
(Azapeptide | CHEMBL412607)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C45H64F3N9O16/c1-8-17-57(43(72)25-11-13-26(14-12-25)45(46,47)48)55-40(69)30-10-9-18-56(30)44(73)35(22(4)5)53-41(70)34(21(2)3)52-39(68)29(20-33(64)65)51-37(66)27(15-16-31(60)61)50-42(71)36(23(6)58)54-38(67)28(19-32(62)63)49-24(7)59/h11-14,21-23,27-30,34-36,58H,8-10,15-20H2,1-7H3,(H,49,59)(H,50,71)(H,51,66)(H,52,68)(H,53,70)(H,54,67)(H,55,69)(H,60,61)(H,62,63)(H,64,65)/t23-,27+,28+,29+,30-,34+,35+,36+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111063
(Azapeptide | CHEMBL384532)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)OC(C)(C)C(Cl)(Cl)Cl Show InChI InChI=1S/C42H66Cl3N9O17/c1-10-15-54(40(70)71-41(8,9)42(43,44)45)52-36(66)26-12-11-16-53(26)39(69)31(20(4)5)50-37(67)30(19(2)3)49-35(65)25(18-29(61)62)48-33(63)23(13-14-27(57)58)47-38(68)32(21(6)55)51-34(64)24(17-28(59)60)46-22(7)56/h19-21,23-26,30-32,55H,10-18H2,1-9H3,(H,46,56)(H,47,68)(H,48,63)(H,49,65)(H,50,67)(H,51,64)(H,52,66)(H,57,58)(H,59,60)(H,61,62)/t21-,23+,24+,25+,26-,30+,31+,32+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111058
(Azapeptide | CHEMBL426151)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)c1ccc(cc1)S(F)(=O)=O Show InChI InChI=1S/C44H64FN9O18S/c1-8-17-54(43(69)25-11-13-26(14-12-25)73(45,71)72)52-40(66)30-10-9-18-53(30)44(70)35(22(4)5)50-41(67)34(21(2)3)49-39(65)29(20-33(61)62)48-37(63)27(15-16-31(57)58)47-42(68)36(23(6)55)51-38(64)28(19-32(59)60)46-24(7)56/h11-14,21-23,27-30,34-36,55H,8-10,15-20H2,1-7H3,(H,46,56)(H,47,68)(H,48,63)(H,49,65)(H,50,67)(H,51,64)(H,52,66)(H,57,58)(H,59,60)(H,61,62)/t23-,27+,28+,29+,30-,34+,35+,36+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111052
(Azapeptide | CHEMBL6507)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C39H60F3N9O16/c1-8-13-51(38(67)39(40,41)42)49-34(63)24-10-9-14-50(24)37(66)29(18(4)5)47-35(64)28(17(2)3)46-33(62)23(16-27(58)59)45-31(60)21(11-12-25(54)55)44-36(65)30(19(6)52)48-32(61)22(15-26(56)57)43-20(7)53/h17-19,21-24,28-30,52H,8-16H2,1-7H3,(H,43,53)(H,44,65)(H,45,60)(H,46,62)(H,47,64)(H,48,61)(H,49,63)(H,54,55)(H,56,57)(H,58,59)/t19-,21+,22+,23+,24-,28+,29+,30+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111048
(Azapeptide | CHEMBL414009)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(C)=O Show InChI InChI=1S/C39H63N9O16/c1-9-14-48(22(8)51)46-36(61)26-11-10-15-47(26)39(64)31(19(4)5)44-37(62)30(18(2)3)43-35(60)25(17-29(56)57)42-33(58)23(12-13-27(52)53)41-38(63)32(20(6)49)45-34(59)24(16-28(54)55)40-21(7)50/h18-20,23-26,30-32,49H,9-17H2,1-8H3,(H,40,50)(H,41,63)(H,42,58)(H,43,60)(H,44,62)(H,45,59)(H,46,61)(H,52,53)(H,54,55)(H,56,57)/t20-,23+,24+,25+,26-,30+,31+,32+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111068
(Azapeptide | CHEMBL216753)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)Sc1ccccc1 Show InChI InChI=1S/C44H65N9O16S/c1-8-18-53(44(69)70-26-13-10-9-11-14-26)51-40(65)30-15-12-19-52(30)43(68)35(23(4)5)49-41(66)34(22(2)3)48-39(64)29(21-33(60)61)47-37(62)27(16-17-31(56)57)46-42(67)36(24(6)54)50-38(63)28(20-32(58)59)45-25(7)55/h9-11,13-14,22-24,27-30,34-36,54H,8,12,15-21H2,1-7H3,(H,45,55)(H,46,67)(H,47,62)(H,48,64)(H,49,66)(H,50,63)(H,51,65)(H,56,57)(H,58,59)(H,60,61)/t24-,27+,28+,29+,30-,34+,35+,36+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111062
(Ac-Asp-Thr-Glu-Asp-Val-Val-Pro-(AzaGly) -Ser-Met-S...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)NNC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C82H122N20O31S/c1-37(2)62(95-72(122)54(32-61(115)116)91-67(117)48(23-24-59(111)112)89-78(128)65(40(6)106)99-71(121)53(31-60(113)114)86-42(8)108)77(127)96-63(38(3)4)80(130)102-27-14-18-57(102)75(125)100-101-82(133)94-56(36-104)74(124)88-49(25-28-134-9)68(118)93-55(35-103)73(123)90-51(29-43-19-21-45(109)22-20-43)69(119)98-66(41(7)107)79(129)92-52(30-44-33-84-47-16-11-10-15-46(44)47)70(120)97-64(39(5)105)76(126)85-34-58(110)87-50(81(131)132)17-12-13-26-83/h10-11,15-16,19-22,33,37-41,48-57,62-66,84,103-107,109H,12-14,17-18,23-32,34-36,83H2,1-9H3,(H,85,126)(H,86,108)(H,87,110)(H,88,124)(H,89,128)(H,90,123)(H,91,117)(H,92,129)(H,93,118)(H,95,122)(H,96,127)(H,97,120)(H,98,119)(H,99,121)(H,100,125)(H,111,112)(H,113,114)(H,115,116)(H,131,132)(H2,94,101,133)/t39-,40-,41-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57-,62+,63+,64+,65+,66+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111061
(Ac-Asp-Thr-Glu-Asp-Val-Val-Pro-(AzaNva)-Ser-Met-Se...)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(O)=O Show InChI InChI=1S/C49H80N12O22S/c1-9-15-61(49(83)55-30(20-62)43(76)51-27(14-17-84-8)40(73)54-31(21-63)48(81)82)59-44(77)32-11-10-16-60(32)47(80)37(23(4)5)57-45(78)36(22(2)3)56-42(75)29(19-35(70)71)53-39(72)26(12-13-33(66)67)52-46(79)38(24(6)64)58-41(74)28(18-34(68)69)50-25(7)65/h22-24,26-32,36-38,62-64H,9-21H2,1-8H3,(H,50,65)(H,51,76)(H,52,79)(H,53,72)(H,54,73)(H,55,83)(H,56,75)(H,57,78)(H,58,74)(H,59,77)(H,66,67)(H,68,69)(H,70,71)(H,81,82)/t24-,26+,27+,28+,29+,30+,31+,32-,36+,37+,38+/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50111050
(Ac-Glu-Asp-Val-Val-Pro-(AzaNva)-Ser-Met-Ser-OH | C...)Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C41H69N11O16S/c1-8-14-52(41(68)47-27(19-54)37(64)44-24(13-16-69-7)35(62)46-26(18-53)33(42)60)50-38(65)28-10-9-15-51(28)40(67)32(21(4)5)49-39(66)31(20(2)3)48-36(63)25(17-30(58)59)45-34(61)23(43-22(6)55)11-12-29(56)57/h20-21,23-28,31-32,53-54H,8-19H2,1-7H3,(H2,42,60)(H,43,55)(H,44,64)(H,45,61)(H,46,62)(H,47,68)(H,48,63)(H,49,66)(H,50,65)(H,56,57)(H,58,59)/t23-,24-,25-,26-,27-,28+,31-,32-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Binding affinity against Hepatitis C virus NS3 protease |
Bioorg Med Chem Lett 12: 1005-8 (2002)
BindingDB Entry DOI: 10.7270/Q2NS0T62 |
More data for this Ligand-Target Pair | |