BDBM50071983 (S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-[(1S,2S)-2-methyl-1-((S)-2-methyl-1-{2-[(S)-1-(2,2,2-trifluoro-acetyl)-butylcarbamoyl]-pyrrolidine-1-carbonyl}-propylcarbamoyl)-butyl]-succinamic acid::CHEMBL310738

SMILES CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(F)(F)F

InChI Key InChIKey=RFFLKYMPEXAZRV-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50071983   

TargetCathepsin B(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50071983(CHEMBL310738 | (S)-3-((S)-2-Acetylamino-3-carboxy-...)
Affinity DataIC50: 9.00E+5nMAssay Description:Compound was tested for inhibition of human liver Cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetChymotrypsin-like elastase family member 1/2A(Pig)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50071983(CHEMBL310738 | (S)-3-((S)-2-Acetylamino-3-carboxy-...)
Affinity DataIC50: 190nMAssay Description:Compound was tested for inhibition of porcine pancreatic elastase (PPE)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeutrophil elastase(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50071983(CHEMBL310738 | (S)-3-((S)-2-Acetylamino-3-carboxy-...)
Affinity DataIC50: 60nMAssay Description:Compound was tested for inhibition of human leucocyte elastase (HLE)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50071983(CHEMBL310738 | (S)-3-((S)-2-Acetylamino-3-carboxy-...)
Affinity DataIC50: 2.20E+4nMAssay Description:Compound was evaluated for its binding affinity against NS3 protease complexed with NS4A cofactor peptide (NS3-4A pep)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2012
Entry Details Article
PubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50071983(CHEMBL310738 | (S)-3-((S)-2-Acetylamino-3-carboxy-...)
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of hepatitis C virus (HCV) NS3 protease.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed