BDBM50326056 (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide::(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-3-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-octahydrocyclopenta[c]pyrrole-1-carboxamide::(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-6-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-octahydrocyclopenta[c]pyrrole-1-carboxamide::CHEMBL231813::TELAPREVIR::Telaprevi::VX-950

SMILES CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5

InChI Key InChIKey=BBAWEDCPNXPBQM-UHFFFAOYSA-N

Data  3 KI  26 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50326056   

TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Uppsala University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataKi:  3.90nMAssay Description:Inhibition of full-length HCV NS3 protease D168V mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Children's Hospital Affiliated to Zhengzhou University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataKi:  7nMAssay Description:Binding affinity to Hepatitis C virus genotype 1H NS3-4A protease assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetChymase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 26nMAssay Description:Inhibition of human ChymaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/11/2011
Entry Details Article
PubMed
TargetChymotrypsin-like elastase family member 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 30nMAssay Description:Inhibition of human Pancreatic elastase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/11/2011
Entry Details Article
PubMed
TargetGenome polyprotein(Hepatitis C Virus)
Uppsala University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataKi:  82nMAssay Description:Inhibition of full-length HCV NS3 protease R155K mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed
TargetGenome polyprotein(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 130nMAssay Description:Inhibition of HCV genotype 1a NS3 protease V36L mutant expressed in Escherichia coli BL21 (DE3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetCathepsin B(Human)
Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 210nMAssay Description:Inhibition of cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetGenome polyprotein(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 270nMAssay Description:Inhibition of HCV genotype 1a NS3 protease V36M mutant expressed in Escherichia coli BL21 (DE3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetCathepsin S(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 300nMAssay Description:Inhibition of human Cathepsin SMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/11/2011
Entry Details Article
PubMed
TargetNon-structural protein 4b(Hepacivirus hominis)
Ri.MED Foundation

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 354nMAssay Description:Inhibition of Hepatitis C virus genotype 1b NS4BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetGenome polyprotein(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 490nMAssay Description:Inhibition of HCV 1a NS3-4A R155T mutant protease after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed
TargetGenome polyprotein(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 510nMAssay Description:Inhibition of HCV 1a NS3-4A R155K mutant protease after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed
TargetCathepsin K(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 630nMAssay Description:Inhibition of human Cathepsin KMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/11/2011
Entry Details Article
PubMed
TargetNeutrophil elastase(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 680nMAssay Description:Inhibition of human leukocyte elastase after 60 mins fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetGenome polyprotein(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 880nMAssay Description:Inhibition of HCV 1a NS3-4A R155I mutant protease after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed
TargetGenome polyprotein(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 1.15E+3nMAssay Description:Inhibition of HCV 1a NS3-4A protease R155S mutant after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed
TargetCathepsin L2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 1.35E+3nMAssay Description:Inhibition of human Cathepsin VMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/11/2011
Entry Details Article
PubMed
TargetCathepsin B(Human)
Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of human CatB after 60 mins fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetGenome polyprotein(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of HCV genotype 1a NS3 protease V36M/R155K double mutant expressed in Escherichia coli BL21 (DE3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of human Cathepsin LMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/11/2011
Entry Details Article
PubMed
TargetCathepsin B(Human)
Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 4.40E+3nMAssay Description:Inhibition of human Cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/11/2011
Entry Details Article
PubMed
TargetGenome polyprotein(Hepatitis C Virus)
Uppsala University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataKi:  6.10E+3nMAssay Description:Inhibition of full-length HCV NS3 protease A156T mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed
TargetNeutrophil elastase(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of human Neutrophil elastase 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/11/2011
Entry Details Article
PubMed
TargetNeutrophil elastase(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of human neutrophil elastaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetPlasminogen(Human)
Emory University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 8.70E+3nMAssay Description:Inhibition of human plasminMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human Trypsin activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/11/2011
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 1.00E+4nMAssay Description:SARS-CoV-2 3CLpro expression and purification is based on a published procedure and our modified protocol is found in the supplementary file. A highl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2021
Entry Details Article
PubMed
TargetCathepsin F(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human Cathepsin FMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/11/2011
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 1.07E+4nMAssay Description:Inhibition of N-terminal 6His-tagged SARS-CoV-2 3CL protease (3259 to 3569 residues) expressed in Escherichia coli BL21 (DE3) using FRET-based UIVT3 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 1.15E+4nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandChemical structure of BindingDB Monomer ID 50326056BDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50: 1.53E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/27/2022
Entry Details Article
PubMed