Found 39 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) | BDBM50122891
(4-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-but...)Show SMILES CC(C)COC(=O)NC(CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H41ClF2N4O9/c1-15(2)11-21(34-26(40)20(7-8-24(37)38)36-29(44)45-14-16(3)4)27(41)35-22(13-23(31)32)25(39)33-10-9-17-5-6-18(28(42)43)12-19(17)30/h5-6,12,15-16,20-23H,7-11,13-14H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)(H,36,44)(H,37,38)(H,42,43)/t20?,21-,22?/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Biinding affinity of the compound for enzyme NS3 protease wild-type |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50122891
(4-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-but...)Show SMILES CC(C)COC(=O)NC(CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H41ClF2N4O9/c1-15(2)11-21(34-26(40)20(7-8-24(37)38)36-29(44)45-14-16(3)4)27(41)35-22(13-23(31)32)25(39)33-10-9-17-5-6-18(28(42)43)12-19(17)30/h5-6,12,15-16,20-23H,7-11,13-14H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)(H,36,44)(H,37,38)(H,42,43)/t20?,21-,22?/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Binding affinity for enzyme K136R |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50122891
(4-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-but...)Show SMILES CC(C)COC(=O)NC(CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H41ClF2N4O9/c1-15(2)11-21(34-26(40)20(7-8-24(37)38)36-29(44)45-14-16(3)4)27(41)35-22(13-23(31)32)25(39)33-10-9-17-5-6-18(28(42)43)12-19(17)30/h5-6,12,15-16,20-23H,7-11,13-14H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)(H,36,44)(H,37,38)(H,42,43)/t20?,21-,22?/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Biinding affinity of the compound for enzyme K136M |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50122883
(3-Chloro-4-(2-{4,4-difluoro-2-[2-(2-isobutoxycarbo...)Show SMILES CC(C)COC(=O)NC(C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H43ClF2N4O7/c1-15(2)11-21(35-27(39)24(17(5)6)36-29(42)43-14-16(3)4)26(38)34-22(13-23(31)32)25(37)33-10-9-18-7-8-19(28(40)41)12-20(18)30/h7-8,12,15-17,21-24H,9-11,13-14H2,1-6H3,(H,33,37)(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t21-,22?,24?/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Biinding affinity of the compound for wild type NS3 protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50122883
(3-Chloro-4-(2-{4,4-difluoro-2-[2-(2-isobutoxycarbo...)Show SMILES CC(C)COC(=O)NC(C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H43ClF2N4O7/c1-15(2)11-21(35-27(39)24(17(5)6)36-29(42)43-14-16(3)4)26(38)34-22(13-23(31)32)25(37)33-10-9-18-7-8-19(28(40)41)12-20(18)30/h7-8,12,15-17,21-24H,9-11,13-14H2,1-6H3,(H,33,37)(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t21-,22?,24?/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Biinding affinity of the compound for NS3 protease K136R |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50122883
(3-Chloro-4-(2-{4,4-difluoro-2-[2-(2-isobutoxycarbo...)Show SMILES CC(C)COC(=O)NC(C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H43ClF2N4O7/c1-15(2)11-21(35-27(39)24(17(5)6)36-29(42)43-14-16(3)4)26(38)34-22(13-23(31)32)25(37)33-10-9-18-7-8-19(28(40)41)12-20(18)30/h7-8,12,15-17,21-24H,9-11,13-14H2,1-6H3,(H,33,37)(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t21-,22?,24?/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Biinding affinity of the compound NS3 protease K136M |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50122882
(4-(1-{1-[2-(2-Chloro-phenyl)-ethylcarbamoyl]-2-mer...)Show SMILES CC(C)C[C@H](NC(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccccc1Cl Show InChI InChI=1S/C28H41ClF2N4O7/c1-16(2)14-20(33-25(39)19(10-11-23(36)37)35-27(41)42-28(3,4)5)26(40)34-21(15-22(30)31)24(38)32-13-12-17-8-6-7-9-18(17)29/h6-9,16,19-22H,10-15H2,1-5H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,37)/t19?,20-,21?/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Biinding affinity of the compound for enzyme NS3 protease wild-type |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50122882
(4-(1-{1-[2-(2-Chloro-phenyl)-ethylcarbamoyl]-2-mer...)Show SMILES CC(C)C[C@H](NC(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccccc1Cl Show InChI InChI=1S/C28H41ClF2N4O7/c1-16(2)14-20(33-25(39)19(10-11-23(36)37)35-27(41)42-28(3,4)5)26(40)34-21(15-22(30)31)24(38)32-13-12-17-8-6-7-9-18(17)29/h6-9,16,19-22H,10-15H2,1-5H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,37)/t19?,20-,21?/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Binding affinity for enzyme K136R |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50122882
(4-(1-{1-[2-(2-Chloro-phenyl)-ethylcarbamoyl]-2-mer...)Show SMILES CC(C)C[C@H](NC(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccccc1Cl Show InChI InChI=1S/C28H41ClF2N4O7/c1-16(2)14-20(33-25(39)19(10-11-23(36)37)35-27(41)42-28(3,4)5)26(40)34-21(15-22(30)31)24(38)32-13-12-17-8-6-7-9-18(17)29/h6-9,16,19-22H,10-15H2,1-5H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,37)/t19?,20-,21?/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Biinding affinity of the compound for enzyme K136M |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50122882
(4-(1-{1-[2-(2-Chloro-phenyl)-ethylcarbamoyl]-2-mer...)Show SMILES CC(C)C[C@H](NC(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccccc1Cl Show InChI InChI=1S/C28H41ClF2N4O7/c1-16(2)14-20(33-25(39)19(10-11-23(36)37)35-27(41)42-28(3,4)5)26(40)34-21(15-22(30)31)24(38)32-13-12-17-8-6-7-9-18(17)29/h6-9,16,19-22H,10-15H2,1-5H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,37)/t19?,20-,21?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Binding affinity for enzyme human leukocyte HLE |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50122891
(4-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-but...)Show SMILES CC(C)COC(=O)NC(CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H41ClF2N4O9/c1-15(2)11-21(34-26(40)20(7-8-24(37)38)36-29(44)45-14-16(3)4)27(41)35-22(13-23(31)32)25(39)33-10-9-17-5-6-18(28(42)43)12-19(17)30/h5-6,12,15-16,20-23H,7-11,13-14H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)(H,36,44)(H,37,38)(H,42,43)/t20?,21-,22?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Binding affinity for enzyme human leukocyte HLE |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50110122
((S)-4-((S)-2-Acetylamino-3-carboxy-propionylamino)...)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](CC(F)F)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C52H63F2N7O14/c1-30(62)56-39(28-43(67)68)50(73)57-36(23-25-42(65)66)48(71)61-45(44(33-18-10-4-11-19-33)34-20-12-5-13-21-34)51(74)58-35(22-24-41(63)64)47(70)60-38(26-31-14-6-2-7-15-31)49(72)59-37(27-40(53)54)46(69)52(75)55-29-32-16-8-3-9-17-32/h3-5,8-13,16-21,31,35-40,44-45H,2,6-7,14-15,22-29H2,1H3,(H,55,75)(H,56,62)(H,57,73)(H,58,74)(H,59,72)(H,60,70)(H,61,71)(H,63,64)(H,65,66)(H,67,68)/t35-,36-,37-,38-,39-,45-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122900
((5R,8S,11S,14S,17S,20S)-20-acetamido-14-benzhydryl...)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)NCCc1ccccc1Cl |r| Show InChI InChI=1S/C51H64ClN7O13S/c1-30(60)54-39(28-43(65)66)50(71)55-37(22-24-42(63)64)48(69)59-45(44(33-16-7-3-8-17-33)34-18-9-4-10-19-34)51(72)56-36(21-23-41(61)62)47(68)57-38(27-31-13-5-2-6-14-31)49(70)58-40(29-73)46(67)53-26-25-32-15-11-12-20-35(32)52/h3-4,7-12,15-20,31,36-40,44-45,73H,2,5-6,13-14,21-29H2,1H3,(H,53,67)(H,54,60)(H,55,71)(H,56,72)(H,57,68)(H,58,70)(H,59,69)(H,61,62)(H,63,64)(H,65,66)/t36-,37-,38-,39-,40-,45-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122902
(4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{1...)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](CC(F)F)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C52H65F2N7O13/c1-31(62)56-40(30-44(67)68)51(73)57-37(23-25-43(65)66)49(71)61-46(45(34-18-10-4-11-19-34)35-20-12-5-13-21-35)52(74)58-36(22-24-42(63)64)48(70)59-38(28-33-16-8-3-9-17-33)50(72)60-39(29-41(53)54)47(69)55-27-26-32-14-6-2-7-15-32/h2,4-7,10-15,18-21,33,36-41,45-46H,3,8-9,16-17,22-30H2,1H3,(H,55,69)(H,56,62)(H,57,73)(H,58,74)(H,59,70)(H,60,72)(H,61,71)(H,63,64)(H,65,66)(H,67,68)/t36-,37-,38-,39-,40-,46-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122897
((5R,8S,11S,14S,17S,20S)-20-acetamido-14-benzhydryl...)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)NCCc1ccccc1 |r| Show InChI InChI=1S/C51H65N7O13S/c1-31(59)53-39(29-43(64)65)50(70)54-37(23-25-42(62)63)48(68)58-45(44(34-18-10-4-11-19-34)35-20-12-5-13-21-35)51(71)55-36(22-24-41(60)61)47(67)56-38(28-33-16-8-3-9-17-33)49(69)57-40(30-72)46(66)52-27-26-32-14-6-2-7-15-32/h2,4-7,10-15,18-21,33,36-40,44-45,72H,3,8-9,16-17,22-30H2,1H3,(H,52,66)(H,53,59)(H,54,70)(H,55,71)(H,56,67)(H,57,69)(H,58,68)(H,60,61)(H,62,63)(H,64,65)/t36-,37-,38-,39-,40-,45-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50110125
(2-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...)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](CC(F)F)C(O)=O Show InChI InChI=1S/C44H56F2N6O14/c1-24(53)47-31(23-36(58)59)42(63)48-29(18-20-35(56)57)40(61)52-38(37(26-13-7-3-8-14-26)27-15-9-4-10-16-27)43(64)49-28(17-19-34(54)55)39(60)50-30(21-25-11-5-2-6-12-25)41(62)51-32(44(65)66)22-33(45)46/h3-4,7-10,13-16,25,28-33,37-38H,2,5-6,11-12,17-23H2,1H3,(H,47,53)(H,48,63)(H,49,64)(H,50,60)(H,51,62)(H,52,61)(H,54,55)(H,56,57)(H,58,59)(H,65,66)/t28-,29-,30-,31-,32-,38-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122892
(4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{1...)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](CC(F)F)C(=O)NOCc1ccccc1 Show InChI InChI=1S/C51H63F2N7O14/c1-30(61)54-39(28-43(66)67)49(71)55-36(23-25-42(64)65)47(69)59-45(44(33-18-10-4-11-19-33)34-20-12-5-13-21-34)51(73)56-35(22-24-41(62)63)46(68)57-37(26-31-14-6-2-7-15-31)48(70)58-38(27-40(52)53)50(72)60-74-29-32-16-8-3-9-17-32/h3-5,8-13,16-21,31,35-40,44-45H,2,6-7,14-15,22-29H2,1H3,(H,54,61)(H,55,71)(H,56,73)(H,57,68)(H,58,70)(H,59,69)(H,60,72)(H,62,63)(H,64,65)(H,66,67)/t35-,36-,37-,38-,39-,45-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122898
((6R,9S,12S,15S,18S,21S)-21-acetamido-15-benzhydryl...)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)NCCCc1ccccc1 |r| Show InChI InChI=1S/C52H67N7O13S/c1-32(60)54-40(30-44(65)66)51(71)55-38(25-27-43(63)64)49(69)59-46(45(35-20-10-4-11-21-35)36-22-12-5-13-23-36)52(72)56-37(24-26-42(61)62)48(68)57-39(29-34-17-8-3-9-18-34)50(70)58-41(31-73)47(67)53-28-14-19-33-15-6-2-7-16-33/h2,4-7,10-13,15-16,20-23,34,37-41,45-46,73H,3,8-9,14,17-19,24-31H2,1H3,(H,53,67)(H,54,60)(H,55,71)(H,56,72)(H,57,68)(H,58,70)(H,59,69)(H,61,62)(H,63,64)(H,65,66)/t37-,38-,39-,40-,41-,46-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122907
((4R,7S,10S,13S,16S,19S)-19-acetamido-13-benzhydryl...)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)NCc1ccccc1 |r| Show InChI InChI=1S/C50H63N7O13S/c1-30(58)52-38(27-42(63)64)49(69)53-36(23-25-41(61)62)47(67)57-44(43(33-18-10-4-11-19-33)34-20-12-5-13-21-34)50(70)54-35(22-24-40(59)60)46(66)55-37(26-31-14-6-2-7-15-31)48(68)56-39(29-71)45(65)51-28-32-16-8-3-9-17-32/h3-5,8-13,16-21,31,35-39,43-44,71H,2,6-7,14-15,22-29H2,1H3,(H,51,65)(H,52,58)(H,53,69)(H,54,70)(H,55,66)(H,56,68)(H,57,67)(H,59,60)(H,61,62)(H,63,64)/t35-,36-,37-,38-,39-,44-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122895
(3-[2-(2-tert-Butoxycarbonylamino-3-methyl-butyryla...)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C21H35F2N3O7/c1-10(2)8-13(17(28)24-12(9-14(22)23)16(27)19(30)31)25-18(29)15(11(3)4)26-20(32)33-21(5,6)7/h10-15H,8-9H2,1-7H3,(H,24,28)(H,25,29)(H,26,32)(H,30,31)/t12-,13-,15-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122887
(4-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-but...)Show SMILES CC(C)COC(=O)NC(CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CS)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C28H41ClN4O9S/c1-15(2)11-21(31-25(37)20(7-8-23(34)35)33-28(41)42-13-16(3)4)26(38)32-22(14-43)24(36)30-10-9-17-5-6-18(27(39)40)12-19(17)29/h5-6,12,15-16,20-22,43H,7-11,13-14H2,1-4H3,(H,30,36)(H,31,37)(H,32,38)(H,33,41)(H,34,35)(H,39,40)/t20?,21-,22?/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122884
(4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-(1...)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)Nc1ccccc1C1CC1 Show InChI InChI=1S/C52H65N7O13S/c1-30(60)53-40(28-44(65)66)50(70)55-38(24-26-43(63)64)48(68)59-46(45(33-15-7-3-8-16-33)34-17-9-4-10-18-34)52(72)56-37(23-25-42(61)62)47(67)57-39(27-31-13-5-2-6-14-31)49(69)58-41(29-73)51(71)54-36-20-12-11-19-35(36)32-21-22-32/h3-4,7-12,15-20,31-32,37-41,45-46,73H,2,5-6,13-14,21-29H2,1H3,(H,53,60)(H,54,71)(H,55,70)(H,56,72)(H,57,67)(H,58,69)(H,59,68)(H,61,62)(H,63,64)(H,65,66)/t37-,38-,39-,40-,41-,46-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122903
((5R,8S,11S,14S,17S,20S)-20-acetamido-14-benzhydryl...)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)NCCC1CCCCC1 |r| Show InChI InChI=1S/C51H71N7O13S/c1-31(59)53-39(29-43(64)65)50(70)54-37(23-25-42(62)63)48(68)58-45(44(34-18-10-4-11-19-34)35-20-12-5-13-21-35)51(71)55-36(22-24-41(60)61)47(67)56-38(28-33-16-8-3-9-17-33)49(69)57-40(30-72)46(66)52-27-26-32-14-6-2-7-15-32/h4-5,10-13,18-21,32-33,36-40,44-45,72H,2-3,6-9,14-17,22-30H2,1H3,(H,52,66)(H,53,59)(H,54,70)(H,55,71)(H,56,67)(H,57,69)(H,58,68)(H,60,61)(H,62,63)(H,64,65)/t36-,37-,38-,39-,40-,45-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122899
((2R,5S,8S,11S,14S,17S)-17-acetamido-11-benzhydryl-...)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)NC1Cc2ccccc2C1 |r| Show InChI InChI=1S/C52H65N7O13S/c1-30(60)53-40(28-44(65)66)50(70)55-38(22-24-43(63)64)48(68)59-46(45(32-15-7-3-8-16-32)33-17-9-4-10-18-33)52(72)56-37(21-23-42(61)62)47(67)57-39(25-31-13-5-2-6-14-31)49(69)58-41(29-73)51(71)54-36-26-34-19-11-12-20-35(34)27-36/h3-4,7-12,15-20,31,36-41,45-46,73H,2,5-6,13-14,21-29H2,1H3,(H,53,60)(H,54,71)(H,55,70)(H,56,72)(H,57,67)(H,58,69)(H,59,68)(H,61,62)(H,63,64)(H,65,66)/t37-,38-,39-,40-,41-,46-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122893
(4-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-but...)Show SMILES CC(C)COC(=O)NC(CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CS)C(=O)NCCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C28H42N4O9S/c1-16(2)13-21(30-25(36)20(9-10-23(33)34)32-28(40)41-14-17(3)4)26(37)31-22(15-42)24(35)29-12-11-18-5-7-19(8-6-18)27(38)39/h5-8,16-17,20-22,42H,9-15H2,1-4H3,(H,29,35)(H,30,36)(H,31,37)(H,32,40)(H,33,34)(H,38,39)/t20?,21-,22?/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122886
(4-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-but...)Show SMILES COC(=O)c1ccc(CCNC(=O)C(CS)NC(=O)[C@H](CC(C)C)NC(=O)C(CCC(O)=O)NC(=O)OCC(C)C)c(Cl)c1 Show InChI InChI=1S/C29H43ClN4O9S/c1-16(2)12-22(32-26(38)21(8-9-24(35)36)34-29(41)43-14-17(3)4)27(39)33-23(15-44)25(37)31-11-10-18-6-7-19(13-20(18)30)28(40)42-5/h6-7,13,16-17,21-23,44H,8-12,14-15H2,1-5H3,(H,31,37)(H,32,38)(H,33,39)(H,34,41)(H,35,36)/t21?,22-,23?/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122879
(4-tert-Butoxycarbonylamino-4-(1-{1-[2-(2-chloro-ph...)Show SMILES CC(C)C[C@H](NC(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS)C(=O)NCCc1ccccc1Cl Show InChI InChI=1S/C27H41ClN4O7S/c1-16(2)14-20(30-24(36)19(10-11-22(33)34)32-26(38)39-27(3,4)5)25(37)31-21(15-40)23(35)29-13-12-17-8-6-7-9-18(17)28/h6-9,16,19-21,40H,10-15H2,1-5H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38)(H,33,34)/t19?,20-,21-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122881
(3-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-but...)Show SMILES CC(C)COC(=O)NC(CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CS)C(=O)NCCc1cccc(c1)C(O)=O Show InChI InChI=1S/C28H42N4O9S/c1-16(2)12-21(30-25(36)20(8-9-23(33)34)32-28(40)41-14-17(3)4)26(37)31-22(15-42)24(35)29-11-10-18-6-5-7-19(13-18)27(38)39/h5-7,13,16-17,20-22,42H,8-12,14-15H2,1-4H3,(H,29,35)(H,30,36)(H,31,37)(H,32,40)(H,33,34)(H,38,39)/t20?,21-,22?/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122885
(4-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-but...)Show SMILES COC(=O)c1ccc(CCNC(=O)C(CS)NC(=O)[C@H](CC(C)C)NC(=O)C(CCC(O)=O)NC(=O)OCC(C)C)cc1 Show InChI InChI=1S/C29H44N4O9S/c1-17(2)14-22(31-26(37)21(10-11-24(34)35)33-29(40)42-15-18(3)4)27(38)32-23(16-43)25(36)30-13-12-19-6-8-20(9-7-19)28(39)41-5/h6-9,17-18,21-23,43H,10-16H2,1-5H3,(H,30,36)(H,31,37)(H,32,38)(H,33,40)(H,34,35)/t21?,22-,23?/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122896
(4-Isobutoxycarbonylamino-4-[1-(2-mercapto-1-phenet...)Show SMILES CC(C)COC(=O)NC(CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CS)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C27H42N4O7S/c1-17(2)14-21(29-25(35)20(10-11-23(32)33)31-27(37)38-15-18(3)4)26(36)30-22(16-39)24(34)28-13-12-19-8-6-5-7-9-19/h5-9,17-18,20-22,39H,10-16H2,1-4H3,(H,28,34)(H,29,35)(H,30,36)(H,31,37)(H,32,33)/t20?,21-,22?/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122905
(3-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-but...)Show SMILES COC(=O)c1cccc(CCNC(=O)C(CS)NC(=O)[C@H](CC(C)C)NC(=O)C(CCC(O)=O)NC(=O)OCC(C)C)c1 Show InChI InChI=1S/C29H44N4O9S/c1-17(2)13-22(31-26(37)21(9-10-24(34)35)33-29(40)42-15-18(3)4)27(38)32-23(16-43)25(36)30-12-11-19-7-6-8-20(14-19)28(39)41-5/h6-8,14,17-18,21-23,43H,9-13,15-16H2,1-5H3,(H,30,36)(H,31,37)(H,32,38)(H,33,40)(H,34,35)/t21?,22-,23?/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122889
(4-tert-Butoxycarbonylamino-4-[1-(2-mercapto-1-phen...)Show SMILES CC(C)C[C@H](NC(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C27H42N4O7S/c1-17(2)15-20(29-24(35)19(11-12-22(32)33)31-26(37)38-27(3,4)5)25(36)30-21(16-39)23(34)28-14-13-18-9-7-6-8-10-18/h6-10,17,19-21,39H,11-16H2,1-5H3,(H,28,34)(H,29,35)(H,30,36)(H,31,37)(H,32,33)/t19?,20-,21-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122906
(4-[1-(2-Mercapto-1-phenethylcarbamoyl-ethylcarbamo...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CS)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C31H42N4O6S/c1-21(2)19-25(31(41)35-26(20-42)29(39)32-18-17-23-11-7-4-8-12-23)34-30(40)24(14-16-28(37)38)33-27(36)15-13-22-9-5-3-6-10-22/h3-12,21,24-26,42H,13-20H2,1-2H3,(H,32,39)(H,33,36)(H,34,40)(H,35,41)(H,37,38)/t24-,25-,26-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122880
(2-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-but...)Show SMILES COC(=O)c1ccccc1CCNC(=O)C(CS)NC(=O)[C@H](CC(C)C)NC(=O)C(CCC(O)=O)NC(=O)OCC(C)C Show InChI InChI=1S/C29H44N4O9S/c1-17(2)14-22(31-26(37)21(10-11-24(34)35)33-29(40)42-15-18(3)4)27(38)32-23(16-43)25(36)30-13-12-19-8-6-7-9-20(19)28(39)41-5/h6-9,17-18,21-23,43H,10-16H2,1-5H3,(H,30,36)(H,31,37)(H,32,38)(H,33,40)(H,34,35)/t21?,22-,23?/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122888
(4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-(1...)Show SMILES CN(CCc1ccccc1)C(=O)[C@H](CS)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C52H67N7O13S/c1-32(60)53-40(30-44(65)66)50(70)54-38(24-26-43(63)64)48(68)58-46(45(35-19-11-5-12-20-35)36-21-13-6-14-22-36)51(71)55-37(23-25-42(61)62)47(67)56-39(29-34-17-9-4-10-18-34)49(69)57-41(31-73)52(72)59(2)28-27-33-15-7-3-8-16-33/h3,5-8,11-16,19-22,34,37-41,45-46,73H,4,9-10,17-18,23-31H2,1-2H3,(H,53,60)(H,54,70)(H,55,71)(H,56,67)(H,57,69)(H,58,68)(H,61,62)(H,63,64)(H,65,66)/t37-,38-,39-,40-,41-,46-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122901
(2-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-but...)Show SMILES CC(C)COC(=O)NC(CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CS)C(=O)NCCc1ccccc1C(O)=O Show InChI InChI=1S/C28H42N4O9S/c1-16(2)13-21(30-25(36)20(9-10-23(33)34)32-28(40)41-14-17(3)4)26(37)31-22(15-42)24(35)29-12-11-18-7-5-6-8-19(18)27(38)39/h5-8,16-17,20-22,42H,9-15H2,1-4H3,(H,29,35)(H,30,36)(H,31,37)(H,32,40)(H,33,34)(H,38,39)/t20?,21-,22?/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122890
(4-tert-Butoxycarbonylamino-4-[1-(1-carboxy-2-merca...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS)C(O)=O Show InChI InChI=1S/C19H33N3O8S/c1-10(2)8-12(16(26)21-13(9-31)17(27)28)20-15(25)11(6-7-14(23)24)22-18(29)30-19(3,4)5/h10-13,31H,6-9H2,1-5H3,(H,20,25)(H,21,26)(H,22,29)(H,23,24)(H,27,28)/t11?,12-,13-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122894
(4-[1-(1-Benzylcarbamoyl-2-mercapto-ethylcarbamoyl)...)Show SMILES CC(C)C[C@H](NC(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS)C(=O)NCc1ccccc1 Show InChI InChI=1S/C26H40N4O7S/c1-16(2)13-19(24(35)29-20(15-38)22(33)27-14-17-9-7-6-8-10-17)28-23(34)18(11-12-21(31)32)30-25(36)37-26(3,4)5/h6-10,16,18-20,38H,11-15H2,1-5H3,(H,27,33)(H,28,34)(H,29,35)(H,30,36)(H,31,32)/t18?,19-,20-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50122904
(CHEMBL420317 | {1-[1-(2-Mercapto-1-phenethylcarbam...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CS)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H42N4O5S/c1-20(2)17-24(28(36)33-25(19-40)27(35)31-16-15-22-11-7-5-8-12-22)32-29(37)26(21(3)4)34-30(38)39-18-23-13-9-6-10-14-23/h5-14,20-21,24-26,40H,15-19H2,1-4H3,(H,31,35)(H,32,37)(H,33,36)(H,34,38)/t24-,25-,26-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome
Curated by ChEMBL
| Assay Description
Inhibitory activity against Hepatitis C NS3/NS4A protease |
J Med Chem 46: 345-8 (2003)
Article DOI: 10.1021/jm025594q
BindingDB Entry DOI: 10.7270/Q2CF9PF1 |
More data for this
Ligand-Target Pair | |
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