BDBM50328778 CHEMBL1270362::N-((2S,3R)-4-(1-(3-(1,1-difluoro-2-methylpropan-2-yl)phenyl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide

SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F

InChI Key InChIKey=SXBWNENFIQGMLK-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 = 50328778   

TargetCytochrome P450 3A4(Human)
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328778(N-((2S,3R)-4-(1-(3-(1,1-difluoro-2-methylpropan-2-...)
Affinity DataIC50: 110nMAssay Description:Inhibition of CYP3A4 by competitive inhibition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328778(N-((2S,3R)-4-(1-(3-(1,1-difluoro-2-methylpropan-2-...)
Affinity DataIC50: 4nMAssay Description:Inhibition of CYP3A4 in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328778(N-((2S,3R)-4-(1-(3-(1,1-difluoro-2-methylpropan-2-...)
Affinity DataIC50: 230nMAssay Description:Inhibition of recombinant BACE1 purified from Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCathepsin D(Human)
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328778(N-((2S,3R)-4-(1-(3-(1,1-difluoro-2-methylpropan-2-...)
Affinity DataIC50: 490nMAssay Description:Inhibition of cathepsin-DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328778(N-((2S,3R)-4-(1-(3-(1,1-difluoro-2-methylpropan-2-...)
Affinity DataIC50: 46nMAssay Description:Inhibition of CYP3A4 in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed