Found 21 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 (HCV)) | BDBM50144349
(4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-isobutoxyc...)Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C34H42F4N4O7/c1-18(2)17-49-34(48)41-29(19(3)4)32(45)42-16-22(20-8-6-5-7-9-20)14-27(42)31(44)40-26(15-28(37)38)30(43)39-11-10-23-24(35)12-21(33(46)47)13-25(23)36/h5-9,12-13,18-19,22,26-29H,10-11,14-17H2,1-4H3,(H,39,43)(H,40,44)(H,41,48)(H,46,47)/t22-,26+,27+,29+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144357
(3-Chloro-4-(2-{(S)-4,4-difluoro-2-[(S)-2-((S)-2-is...)Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](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
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50120648
((S)-5,5-Difluoro-3-[(S)-2-((R)-2-hydroxy-2-phenyl-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](O)c1ccccc1)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C19H24F2N2O6/c1-10(2)8-13(23-18(27)15(24)11-6-4-3-5-7-11)17(26)22-12(9-14(20)21)16(25)19(28)29/h3-7,10,12-15,24H,8-9H2,1-2H3,(H,22,26)(H,23,27)(H,28,29)/t12-,13-,15+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144360
(4-[2-((S)-4,4-Difluoro-2-{[(2S,4R)-1-(2-hydroxy-3-...)Show SMILES CC(C)[C@H](O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)OCCCc1ccccc1 Show InChI InChI=1S/C32H39F4N3O7/c1-18(2)28(40)31(43)39-17-21(46-12-6-9-19-7-4-3-5-8-19)15-26(39)30(42)38-25(16-27(35)36)29(41)37-11-10-22-23(33)13-20(32(44)45)14-24(22)34/h3-5,7-8,13-14,18,21,25-28,40H,6,9-12,15-17H2,1-2H3,(H,37,41)(H,38,42)(H,44,45)/t21-,25+,26+,28+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144362
(4-[2-((S)-2-{[(2S,4R)-4-((S)-4-Bromo-benzyloxy)-1-...)Show SMILES CC(C)[C@H](O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)OCc1ccc(Br)cc1 Show InChI InChI=1S/C30H34BrF4N3O7/c1-15(2)26(39)29(42)38-13-19(45-14-16-3-5-18(31)6-4-16)11-24(38)28(41)37-23(12-25(34)35)27(40)36-8-7-20-21(32)9-17(30(43)44)10-22(20)33/h3-6,9-10,15,19,23-26,39H,7-8,11-14H2,1-2H3,(H,36,40)(H,37,41)(H,43,44)/t19-,23+,24+,26+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144351
(4-[2-((S)-2-{[(2S,4S)-1-(2-Cyclopentyl-2-hydroxy-a...)Show SMILES O[C@@H](C1CCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C31H35F4N3O6/c32-22-12-19(31(43)44)13-23(33)21(22)10-11-36-28(40)24(15-26(34)35)37-29(41)25-14-20(17-6-2-1-3-7-17)16-38(25)30(42)27(39)18-8-4-5-9-18/h1-3,6-7,12-13,18,20,24-27,39H,4-5,8-11,14-16H2,(H,36,40)(H,37,41)(H,43,44)/t20-,24+,25+,27+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144354
(4-[2-((S)-2-{[(2S,4S)-1-(2-Cyclohexyl-2-hydroxy-ac...)Show SMILES O[C@@H](C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C32H37F4N3O6/c33-23-13-20(32(44)45)14-24(34)22(23)11-12-37-29(41)25(16-27(35)36)38-30(42)26-15-21(18-7-3-1-4-8-18)17-39(26)31(43)28(40)19-9-5-2-6-10-19/h1,3-4,7-8,13-14,19,21,25-28,40H,2,5-6,9-12,15-17H2,(H,37,41)(H,38,42)(H,44,45)/t21-,25+,26+,28+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144356
(4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-hydroxy-3-...)Show SMILES CC(C)[C@H](O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C29H33F4N3O6/c1-15(2)25(37)28(40)36-14-18(16-6-4-3-5-7-16)12-23(36)27(39)35-22(13-24(32)33)26(38)34-9-8-19-20(30)10-17(29(41)42)11-21(19)31/h3-7,10-11,15,18,22-25,37H,8-9,12-14H2,1-2H3,(H,34,38)(H,35,39)(H,41,42)/t18-,22+,23+,25+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144358
(4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-hydroxy-3,...)Show SMILES CC(C)(C)[C@H](O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C30H35F4N3O6/c1-30(2,3)25(38)28(41)37-15-18(16-7-5-4-6-8-16)13-23(37)27(40)36-22(14-24(33)34)26(39)35-10-9-19-20(31)11-17(29(42)43)12-21(19)32/h4-8,11-12,18,22-25,38H,9-10,13-15H2,1-3H3,(H,35,39)(H,36,40)(H,42,43)/t18-,22+,23+,25-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144363
(4-[2-((S)-4,4-Difluoro-2-{[(2S,4R)-1-(2-hydroxy-3-...)Show SMILES CC(C)[C@H](O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)OCc1ccccc1 Show InChI InChI=1S/C30H35F4N3O7/c1-16(2)26(38)29(41)37-14-19(44-15-17-6-4-3-5-7-17)12-24(37)28(40)36-23(13-25(33)34)27(39)35-9-8-20-21(31)10-18(30(42)43)11-22(20)32/h3-7,10-11,16,19,23-26,38H,8-9,12-15H2,1-2H3,(H,35,39)(H,36,40)(H,42,43)/t19-,23+,24+,26+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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 |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144348
(4-[2-((S)-2-{[(2S,4R)-4-((S)-Cyclohexyloxy)-1-(2-h...)Show SMILES CC(C)[C@H](O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)OC1CCCCC1 Show InChI InChI=1S/C29H39F4N3O7/c1-15(2)25(37)28(40)36-14-18(43-17-6-4-3-5-7-17)12-23(36)27(39)35-22(13-24(32)33)26(38)34-9-8-19-20(30)10-16(29(41)42)11-21(19)31/h10-11,15,17-18,22-25,37H,3-9,12-14H2,1-2H3,(H,34,38)(H,35,39)(H,41,42)/t18-,22+,23+,25+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144366
(4-[2-((S)-2-{[(2S,4S)-1-(2-Cyclopentyl-acetyl)-4-p...)Show SMILES OC(=O)c1cc(F)c(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@H](CN2C(=O)CC2CCCC2)c2ccccc2)c(F)c1 Show InChI InChI=1S/C31H35F4N3O5/c32-23-13-20(31(42)43)14-24(33)22(23)10-11-36-29(40)25(16-27(34)35)37-30(41)26-15-21(19-8-2-1-3-9-19)17-38(26)28(39)12-18-6-4-5-7-18/h1-3,8-9,13-14,18,21,25-27H,4-7,10-12,15-17H2,(H,36,40)(H,37,41)(H,42,43)/t21-,25+,26+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144359
(4-[2-((S)-2-{[(2S,4S)-1-(3-Ethyl-2-hydroxy-pentano...)Show SMILES CCC(CC)C(O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C31H37F4N3O6/c1-3-17(4-2)27(39)30(42)38-16-20(18-8-6-5-7-9-18)14-25(38)29(41)37-24(15-26(34)35)28(40)36-11-10-21-22(32)12-19(31(43)44)13-23(21)33/h5-9,12-13,17,20,24-27,39H,3-4,10-11,14-16H2,1-2H3,(H,36,40)(H,37,41)(H,43,44)/t20-,24+,25+,27?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144352
(4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(3-methyl-but...)Show SMILES CC(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C29H33F4N3O5/c1-16(2)10-26(37)36-15-19(17-6-4-3-5-7-17)13-24(36)28(39)35-23(14-25(32)33)27(38)34-9-8-20-21(30)11-18(29(40)41)12-22(20)31/h3-7,11-12,16,19,23-25H,8-10,13-15H2,1-2H3,(H,34,38)(H,35,39)(H,40,41)/t19-,23+,24+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144364
(4-[2-((S)-2-{[(2S,4S)-1-(2-Cyclopentyl-2-hydroxy-a...)Show SMILES O[C@H](C1CCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C31H35F4N3O6/c32-22-12-19(31(43)44)13-23(33)21(22)10-11-36-28(40)24(15-26(34)35)37-29(41)25-14-20(17-6-2-1-3-7-17)16-38(25)30(42)27(39)18-8-4-5-9-18/h1-3,6-7,12-13,18,20,24-27,39H,4-5,8-11,14-16H2,(H,36,40)(H,37,41)(H,43,44)/t20-,24+,25+,27-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144353
(4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-hydroxy-3-...)Show SMILES CC(C)[C@@H](O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C29H33F4N3O6/c1-15(2)25(37)28(40)36-14-18(16-6-4-3-5-7-16)12-23(36)27(39)35-22(13-24(32)33)26(38)34-9-8-19-20(30)10-17(29(41)42)11-21(19)31/h3-7,10-11,15,18,22-25,37H,8-9,12-14H2,1-2H3,(H,34,38)(H,35,39)(H,41,42)/t18-,22+,23+,25-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144350
(4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-hydroxy-2-...)Show SMILES O[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H31F4N3O6/c33-23-13-20(32(44)45)14-24(34)22(23)11-12-37-29(41)25(16-27(35)36)38-30(42)26-15-21(18-7-3-1-4-8-18)17-39(26)31(43)28(40)19-9-5-2-6-10-19/h1-10,13-14,21,25-28,40H,11-12,15-17H2,(H,37,41)(H,38,42)(H,44,45)/t21-,25+,26+,28+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144367
(4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-hydroxy-3-...)Show SMILES OC(Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C33H33F4N3O6/c34-24-14-21(33(45)46)15-25(35)23(24)11-12-38-30(42)26(17-29(36)37)39-31(43)27-16-22(20-9-5-2-6-10-20)18-40(27)32(44)28(41)13-19-7-3-1-4-8-19/h1-10,14-15,22,26-29,41H,11-13,16-18H2,(H,38,42)(H,39,43)(H,45,46)/t22-,26+,27+,28?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144361
(4-[2-((S)-2-{[(2S,4R)-4-((S)-2-Chloro-benzyloxy)-1...)Show SMILES CC(C)[C@H](O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)OCc1ccccc1Cl Show InChI InChI=1S/C30H34ClF4N3O7/c1-15(2)26(39)29(42)38-13-18(45-14-16-5-3-4-6-20(16)31)11-24(38)28(41)37-23(12-25(34)35)27(40)36-8-7-19-21(32)9-17(30(43)44)10-22(19)33/h3-6,9-10,15,18,23-26,39H,7-8,11-14H2,1-2H3,(H,36,40)(H,37,41)(H,43,44)/t18-,23+,24+,26+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144365
(4-[2-((S)-2-{[(2S,4S)-1-(2-Cyclopropyl-2-hydroxy-a...)Show SMILES OC(C1CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C29H31F4N3O6/c30-20-10-17(29(41)42)11-21(31)19(20)8-9-34-26(38)22(13-24(32)33)35-27(39)23-12-18(15-4-2-1-3-5-15)14-36(23)28(40)25(37)16-6-7-16/h1-5,10-11,16,18,22-25,37H,6-9,12-14H2,(H,34,38)(H,35,39)(H,41,42)/t18-,22+,23+,25?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Hepatitis C virus (HCV)) | BDBM50144355
(4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-hydroxy-2-...)Show SMILES O[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H31F4N3O6/c33-23-13-20(32(44)45)14-24(34)22(23)11-12-37-29(41)25(16-27(35)36)38-30(42)26-15-21(18-7-3-1-4-8-18)17-39(26)31(43)28(40)19-9-5-2-6-10-19/h1-10,13-14,21,25-28,40H,11-12,15-17H2,(H,37,41)(H,38,42)(H,44,45)/t21-,25+,26+,28-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
IRBM, MRL Rome
Curated by ChEMBL
| Assay Description
Inhibition of Hepatitis C virus NS3 protease in vitro. |
Bioorg Med Chem Lett 14: 2151-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.032
BindingDB Entry DOI: 10.7270/Q2HH6JJH |
More data for this
Ligand-Target Pair | |
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