BDBM50302841 CHEMBL571860::N-((2S,3R)-4-(1-(3-tert-butylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide::N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide

SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C

InChI Key InChIKey=RJXIEHBFRZLGTH-IZZNHLLZSA-N

Data  7 IC50

PDB links: 1 PDB ID matches this monomer.

  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 7 hits for monomerid = 50302841   

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

Curated by ChEMBL
LigandPNGBDBM50302841(CHEMBL571860 | N-((2S,3R)-4-(1-(3-tert-butylphenyl...)
Affinity DataIC50:  47nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50302841(CHEMBL571860 | N-((2S,3R)-4-(1-(3-tert-butylphenyl...)
Affinity DataIC50:  47nMAssay Description:Inhibition of recombinant BACE1 purified from Escherichia coliMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50302841(CHEMBL571860 | N-((2S,3R)-4-(1-(3-tert-butylphenyl...)
Affinity DataIC50:  47nMAssay Description:Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50302841(CHEMBL571860 | N-((2S,3R)-4-(1-(3-tert-butylphenyl...)
Affinity DataIC50:  25nMAssay Description:Inhibition of cathepsin D assessed as reduction in polarization after 110 mins by oregon green based fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50302841(CHEMBL571860 | N-((2S,3R)-4-(1-(3-tert-butylphenyl...)
Affinity DataIC50:  24nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50302841(CHEMBL571860 | N-((2S,3R)-4-(1-(3-tert-butylphenyl...)
Affinity DataIC50:  25nMAssay 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
LigandPNGBDBM50302841(CHEMBL571860 | N-((2S,3R)-4-(1-(3-tert-butylphenyl...)
Affinity DataIC50:  47nMAssay Description:Inhibition of recombinant BACE1 expressed in Escherichia coli after 3 hrs by oregon green based fluorescence polarization assayMore data for this Ligand-Target Pair