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-UHFFFAOYSA-N

Data: 3 KI  26 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50326056   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Non-structural protein 4b (Hepacivirus hominis)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	354	n/a	n/a	n/a	n/a	n/a	n/a
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Neutrophil elastase (Human)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Plasminogen (Human)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cathepsin B (Human)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Neutrophil elastase (Human)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
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Cathepsin B (Human)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Chymotrypsin-like elastase family member 1 (Human)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
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Cathepsin S (Human)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
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Cathepsin K (Human)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
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Cathepsin L2 (Human)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Procathepsin L (Human)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cathepsin B (Human)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Neutrophil elastase (Human)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Chymase (Human)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
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Cathepsin F (Human)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Serine protease 1 (Human)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1ab (2019-nCoV)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Genome polyprotein (Hepacivirus C)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Platelet-derived growth factor receptor alpha/beta (Mouse)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES Show InChI	GoogleScholar	UniChem		6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair