BDBM50328061 CHEMBL1258002::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(1-neopentyl-1H-pyrazol-4-yl)cyclopropylamino)butan-2-yl)acetamide

SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cnn(CC(C)(C)C)c1

InChI Key InChIKey=VGPRQBUXKLBDJH-LEWJYISDSA-N

Data  4 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 4 hits for monomerid = 50328061   

TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328061(CHEMBL1258002 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Affinity DataIC50:  346nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328061(CHEMBL1258002 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Affinity DataIC50:  720nMAssay Description:Inhibition of cathepsin-DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328061(CHEMBL1258002 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Affinity DataIC50:  720nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328061(CHEMBL1258002 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Affinity DataIC50:  350nMAssay Description:Inhibition of recombinant BACE1 purified from Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed