Found 13 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) | BDBM50187938
(3-{(7R,9S,12S)-9-[1-((S)-dimethylcarbamoyl-phenyl-...)Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCC(C1)C(O)=O)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C43H56N6O11/c1-4-11-32(38(52)40(54)44-24-35(51)47-36(41(55)48(2)3)27-13-6-5-7-14-27)45-39(53)33-23-31-25-49(33)42(56)37(28-15-9-16-29(22-28)43(57)58)46-34(50)21-26-12-8-17-30(20-26)59-18-10-19-60-31/h5-8,12-14,17,20,28-29,31-33,36-37H,4,9-11,15-16,18-19,21-25H2,1-3H3,(H,44,54)(H,45,53)(H,46,50)(H,47,51)(H,57,58)/t28?,29?,31-,32?,33+,36+,37+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | 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 to HCV NS3 protease |
Bioorg Med Chem Lett 16: 3960-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.022
BindingDB Entry DOI: 10.7270/Q28K78QB |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50187936
((7R,9S,12S)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10...)Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C42H56N6O9/c1-4-13-32(38(51)40(53)43-25-35(50)46-36(41(54)47(2)3)28-15-7-5-8-16-28)44-39(52)33-24-31-26-48(33)42(55)37(29-17-9-6-10-18-29)45-34(49)23-27-14-11-19-30(22-27)56-20-12-21-57-31/h5,7-8,11,14-16,19,22,29,31-33,36-37H,4,6,9-10,12-13,17-18,20-21,23-26H2,1-3H3,(H,43,53)(H,44,52)(H,45,49)(H,46,50)/t31-,32?,33+,36+,37+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | 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 to HCV NS3 protease |
Bioorg Med Chem Lett 16: 3960-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.022
BindingDB Entry DOI: 10.7270/Q28K78QB |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50187934
((7R,9S,12S)-12-cyclohexyl-19-methyl-11,14-dioxo-2,...)Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1ccc(C)c(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C43H58N6O9/c1-5-13-32(39(52)41(54)44-25-36(51)47-37(42(55)48(3)4)29-14-8-6-9-15-29)45-40(53)33-24-31-26-49(33)43(56)38(30-16-10-7-11-17-30)46-35(50)23-28-19-18-27(2)34(22-28)58-21-12-20-57-31/h6,8-9,14-15,18-19,22,30-33,37-38H,5,7,10-13,16-17,20-21,23-26H2,1-4H3,(H,44,54)(H,45,53)(H,46,50)(H,47,51)/t31-,32?,33+,37+,38+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | 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 to HCV NS3 protease |
Bioorg Med Chem Lett 16: 3960-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.022
BindingDB Entry DOI: 10.7270/Q28K78QB |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50187930
(4-{(7R,9S,12S)-9-[1-((S)-dimethylcarbamoyl-phenyl-...)Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@]([H])(NC(=O)Cc1cccc(OCCCO2)c1)[C@@]1([H])CC[C@@H](CC1)C(O)=O)C(=O)NC(CCC)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |wU:3.38,29.35,51.54,1.0,8.9,25.28,(17.8,-12.47,;16.63,-13.92,;18.13,-14.24,;18.29,-15.78,;16.89,-16.4,;15.85,-15.25,;16.56,-17.91,;17.7,-18.94,;15.1,-18.37,;16.43,-19.14,;13.96,-17.34,;12.06,-17.92,;12.07,-19.46,;10.72,-17.16,;10.7,-15.62,;9.35,-14.86,;9.34,-13.32,;10.67,-12.54,;12,-13.31,;13.33,-12.53,;13.32,-10.99,;14.65,-10.21,;15.99,-10.97,;16,-12.51,;12.02,-14.84,;14.77,-19.88,;13.68,-18.79,;13.31,-20.35,;12.99,-21.85,;14.12,-22.89,;15.59,-22.42,;15.92,-20.91,;13.79,-24.4,;12.32,-24.87,;14.94,-25.44,;19.63,-16.55,;19.63,-18.09,;20.96,-15.78,;22.29,-16.55,;22.29,-18.09,;20.96,-18.86,;20.96,-20.4,;23.62,-15.78,;23.62,-14.24,;24.95,-16.55,;24.95,-18.09,;26.29,-15.78,;27.63,-16.55,;28.96,-15.78,;28.96,-14.24,;30.29,-16.55,;31.62,-15.78,;32.96,-16.55,;32.96,-18.09,;34.29,-15.78,;35.63,-16.55,;34.29,-14.24,;31.62,-14.24,;32.96,-13.47,;32.96,-11.93,;31.63,-11.17,;30.29,-11.94,;30.3,-13.48,)| Show InChI InChI=1S/C43H56N6O11/c1-4-10-32(38(52)40(54)44-24-35(51)47-36(41(55)48(2)3)27-12-6-5-7-13-27)45-39(53)33-23-31-25-49(33)42(56)37(28-15-17-29(18-16-28)43(57)58)46-34(50)22-26-11-8-14-30(21-26)59-19-9-20-60-31/h5-8,11-14,21,28-29,31-33,36-37H,4,9-10,15-20,22-25H2,1-3H3,(H,44,54)(H,45,53)(H,46,50)(H,47,51)(H,57,58)/t28?,29-,31-,32?,33+,36+,37+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 19 | 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 to HCV NS3 protease |
Bioorg Med Chem Lett 16: 3960-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.022
BindingDB Entry DOI: 10.7270/Q28K78QB |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50187935
((6R,8S,11S)-11-cyclohexyl-10,13-dioxo-2,5-dioxa-9,...)Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)CCc1cccc(OCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C42H56N6O9/c1-4-12-32(38(51)40(53)43-25-35(50)46-36(41(54)47(2)3)28-14-7-5-8-15-28)44-39(52)33-24-31-26-48(33)42(55)37(29-16-9-6-10-17-29)45-34(49)20-19-27-13-11-18-30(23-27)56-21-22-57-31/h5,7-8,11,13-15,18,23,29,31-33,36-37H,4,6,9-10,12,16-17,19-22,24-26H2,1-3H3,(H,43,53)(H,44,52)(H,45,49)(H,46,50)/t31-,32?,33+,36+,37+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | 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 to HCV NS3 protease |
Bioorg Med Chem Lett 16: 3960-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.022
BindingDB Entry DOI: 10.7270/Q28K78QB |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50187929
((7R,9S,12S)-12-cyclohexyl-15-methyl-11,14-dioxo-2,...)Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)N(C)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C43H59N7O9/c1-5-14-33(38(52)40(54)44-25-35(51)46-36(41(55)48(2)3)29-16-8-6-9-17-29)45-39(53)34-24-32-27-50(34)42(56)37(30-18-10-7-11-19-30)47-43(57)49(4)26-28-15-12-20-31(23-28)58-21-13-22-59-32/h6,8-9,12,15-17,20,23,30,32-34,36-37H,5,7,10-11,13-14,18-19,21-22,24-27H2,1-4H3,(H,44,54)(H,45,53)(H,46,51)(H,47,57)/t32-,33?,34+,36+,37+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | 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 to HCV NS3 protease |
Bioorg Med Chem Lett 16: 3960-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.022
BindingDB Entry DOI: 10.7270/Q28K78QB |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50024579
(CHEMBL3084341)Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@]([H])(NC(=O)Cc1cccc(OCCCO2)c1)[C@]1([H])CC[C@@H](CC1)C(O)=O)C(=O)NC(CCC)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |wU:3.38,51.54,1.0,8.9,25.28,wD:29.35,(17.8,-12.47,;16.63,-13.92,;18.13,-14.24,;18.29,-15.78,;16.89,-16.4,;15.85,-15.25,;16.56,-17.91,;17.7,-18.94,;15.1,-18.37,;16.43,-19.14,;13.96,-17.34,;12.06,-17.92,;12.07,-19.46,;10.72,-17.16,;10.7,-15.62,;9.35,-14.86,;9.34,-13.32,;10.67,-12.54,;12,-13.31,;13.33,-12.53,;13.32,-10.99,;14.65,-10.21,;15.99,-10.97,;16,-12.51,;12.02,-14.84,;14.77,-19.88,;13.68,-18.79,;15.92,-20.91,;15.59,-22.42,;14.12,-22.89,;12.99,-21.85,;13.31,-20.35,;13.79,-24.4,;12.32,-24.87,;14.94,-25.44,;19.63,-16.55,;19.63,-18.09,;20.96,-15.78,;22.29,-16.55,;22.29,-18.09,;20.96,-18.86,;20.96,-20.4,;23.62,-15.78,;23.62,-14.24,;24.95,-16.55,;24.95,-18.09,;26.29,-15.78,;27.63,-16.55,;28.96,-15.78,;28.96,-14.24,;30.29,-16.55,;31.62,-15.78,;32.96,-16.55,;32.96,-18.09,;34.29,-15.78,;35.63,-16.55,;34.29,-14.24,;31.62,-14.24,;32.96,-13.47,;32.96,-11.93,;31.63,-11.17,;30.29,-11.94,;30.3,-13.48,)| Show InChI InChI=1S/C43H56N6O11/c1-4-10-32(38(52)40(54)44-24-35(51)47-36(41(55)48(2)3)27-12-6-5-7-13-27)45-39(53)33-23-31-25-49(33)42(56)37(28-15-17-29(18-16-28)43(57)58)46-34(50)22-26-11-8-14-30(21-26)59-19-9-20-60-31/h5-8,11-14,21,28-29,31-33,36-37H,4,9-10,15-20,22-25H2,1-3H3,(H,44,54)(H,45,53)(H,46,50)(H,47,51)(H,57,58)/t28-,29+,31-,32?,33+,36+,37+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | 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 to HCV NS3 protease |
Bioorg Med Chem Lett 16: 3960-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.022
BindingDB Entry DOI: 10.7270/Q28K78QB |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50187927
((7R,9S,12S)-12-cyclohexyl-18-methyl-11,14-dioxo-2,...)Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cc(C)cc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C43H58N6O9/c1-5-13-33(39(52)41(54)44-25-36(51)47-37(42(55)48(3)4)29-14-8-6-9-15-29)45-40(53)34-24-32-26-49(34)43(56)38(30-16-10-7-11-17-30)46-35(50)23-28-20-27(2)21-31(22-28)57-18-12-19-58-32/h6,8-9,14-15,20-22,30,32-34,37-38H,5,7,10-13,16-19,23-26H2,1-4H3,(H,44,54)(H,45,53)(H,46,50)(H,47,51)/t32-,33?,34+,37+,38+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | 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 to HCV NS3 protease |
Bioorg Med Chem Lett 16: 3960-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.022
BindingDB Entry DOI: 10.7270/Q28K78QB |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50187937
((7R,9S,12S)-12-cyclohexyl-18-methoxy-11,14-dioxo-2...)Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cc(OC)cc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C43H58N6O10/c1-5-13-33(39(52)41(54)44-25-36(51)47-37(42(55)48(2)3)28-14-8-6-9-15-28)45-40(53)34-24-32-26-49(34)43(56)38(29-16-10-7-11-17-29)46-35(50)22-27-20-30(57-4)23-31(21-27)58-18-12-19-59-32/h6,8-9,14-15,20-21,23,29,32-34,37-38H,5,7,10-13,16-19,22,24-26H2,1-4H3,(H,44,54)(H,45,53)(H,46,50)(H,47,51)/t32-,33?,34+,37+,38+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 32 | 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 to HCV NS3 protease |
Bioorg Med Chem Lett 16: 3960-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.022
BindingDB Entry DOI: 10.7270/Q28K78QB |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50187931
((5S,8S,10R)-5-cyclohexyl-2-methyl-3,6-dioxo-11,15-...)Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)N(C)c1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C42H57N7O9/c1-5-14-32(37(51)39(53)43-25-34(50)45-35(40(54)47(2)3)27-15-8-6-9-16-27)44-38(52)33-24-31-26-49(33)41(55)36(28-17-10-7-11-18-28)46-42(56)48(4)29-19-12-20-30(23-29)57-21-13-22-58-31/h6,8-9,12,15-16,19-20,23,28,31-33,35-36H,5,7,10-11,13-14,17-18,21-22,24-26H2,1-4H3,(H,43,53)(H,44,52)(H,45,50)(H,46,56)/t31-,32?,33+,35+,36+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 90 | 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 to HCV NS3 protease |
Bioorg Med Chem Lett 16: 3960-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.022
BindingDB Entry DOI: 10.7270/Q28K78QB |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50187933
((5S,8S,10R)-5-tert-butyl-3,6-dioxo-2,11,15-trioxa-...)Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Oc1cccc(OCCCO2)c1)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C39H52N6O10/c1-7-13-28(32(47)35(49)40-22-30(46)42-31(36(50)44(5)6)24-14-9-8-10-15-24)41-34(48)29-21-27-23-45(29)37(51)33(39(2,3)4)43-38(52)55-26-17-11-16-25(20-26)53-18-12-19-54-27/h8-11,14-17,20,27-29,31,33H,7,12-13,18-19,21-23H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t27-,28?,29+,31+,33-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
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 to HCV NS3 protease |
Bioorg Med Chem Lett 16: 3960-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.022
BindingDB Entry DOI: 10.7270/Q28K78QB |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50187932
((4S,7S,9R)-4-tert-butyl-2,5-dioxo-10,15-dioxa-3,6-...)Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)c1cccc(OCCCCO2)c1)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C40H54N6O9/c1-7-14-29(33(48)37(51)41-23-31(47)43-32(38(52)45(5)6)25-15-9-8-10-16-25)42-36(50)30-22-28-24-46(30)39(53)34(40(2,3)4)44-35(49)26-17-13-18-27(21-26)54-19-11-12-20-55-28/h8-10,13,15-18,21,28-30,32,34H,7,11-12,14,19-20,22-24H2,1-6H3,(H,41,51)(H,42,50)(H,43,47)(H,44,49)/t28-,29?,30+,32+,34-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 210 | 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 to HCV NS3 protease |
Bioorg Med Chem Lett 16: 3960-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.022
BindingDB Entry DOI: 10.7270/Q28K78QB |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus) | BDBM50187928
((5S,8S,10R)-5-cyclohexyl-3,6-dioxo-11,15-dioxa-2,4...)Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Nc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C41H55N7O9/c1-4-13-31(36(50)38(52)42-24-33(49)45-34(39(53)47(2)3)26-14-7-5-8-15-26)44-37(51)32-23-30-25-48(32)40(54)35(27-16-9-6-10-17-27)46-41(55)43-28-18-11-19-29(22-28)56-20-12-21-57-30/h5,7-8,11,14-15,18-19,22,27,30-32,34-35H,4,6,9-10,12-13,16-17,20-21,23-25H2,1-3H3,(H,42,52)(H,44,51)(H,45,49)(H2,43,46,55)/t30-,31?,32+,34+,35+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60E+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 to HCV NS3 protease |
Bioorg Med Chem Lett 16: 3960-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.022
BindingDB Entry DOI: 10.7270/Q28K78QB |
More data for this
Ligand-Target Pair | |
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