BDBM50331768 (S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl)-2-((S)-1-(4'-((R)-2,2-difluoro-1-hydroxyethyl)biphenyl-4-yl)-2,2,2-trifluoroethylamino)-3-methylbutanamide::CHEMBL1288532

SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N

InChI Key InChIKey=DFQDPBLCCLZOCK-WOHWVRMTSA-N

Data  10 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50331768   

TargetCathepsin K(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50331768((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Affinity DataIC50:  2nMAssay Description:Inhibition of human Cat K expressed in Ramos cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin L2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50331768((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Affinity DataIC50:  69nMAssay Description:Inhibition of human Cat VMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin F(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50331768((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Affinity DataIC50:  56nMAssay Description:Inhibition of human Cat F expressed in rabbit HIG82 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50331768((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Affinity DataIC50:  1.06E+3nMAssay Description:Inhibition of human Cat LMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
University Of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50331768((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Affinity DataIC50:  87nMAssay Description:Reversible inhibition of human cathepsin BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50331768((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of trypanosoma cruzi CruzipainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
University Of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50331768((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Affinity DataIC50:  87nMAssay Description:Inhibition of human Cat B in HepG2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50331768((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Affinity DataIC50:  0.400nMAssay Description:Reversible inhibition of Trypanosoma cruzi cruzipainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50331768((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Affinity DataIC50:  1.06E+3nMAssay Description:Reversible inhibition of human cathepsin LMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin S(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50331768((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...)
Affinity DataIC50:  322nMAssay Description:Inhibition of human Cat S expressed in Ramos cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed