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](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1

InChI Key InChIKey=BBAWEDCPNXPBQM-GDEBMMAJSA-N

Data  3 KI  26 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50326056   

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

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepatitis C Virus)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepatitis C Virus)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetCathepsin L2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetCathepsin K(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetChymotrypsin-like elastase family member 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetPlasminogen(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetChymase(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
A*Star

LigandPNGBDBM50326056((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...)
Affinity DataIC50:  1.07E+4nMAssay Description:Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Mycobacterium lufuMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed
TargetCathepsin F(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326056((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 DepthDetails ArticlePubMed