BDBM50328049 CHEMBL1257302::N-((2S,3R)-4-(1-(6-tert-butylpyrimidin-4-yl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide

SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(ncn1)C(C)(C)C

InChI Key InChIKey=VVWGMEIQTOBDML-FCHUYYIVSA-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 = 50328049   

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

Curated by ChEMBL
LigandPNGBDBM50328049(CHEMBL1257302 | N-((2S,3R)-4-(1-(6-tert-butylpyrim...)
Affinity DataIC50:  2.43E+3nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328049(CHEMBL1257302 | N-((2S,3R)-4-(1-(6-tert-butylpyrim...)
Affinity DataIC50:  250nMAssay Description:Inhibition of cathepsin-DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Elan Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328049(CHEMBL1257302 | N-((2S,3R)-4-(1-(6-tert-butylpyrim...)
Affinity DataIC50:  245nMAssay 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
LigandPNGBDBM50328049(CHEMBL1257302 | N-((2S,3R)-4-(1-(6-tert-butylpyrim...)
Affinity DataIC50:  2.40E+3nMAssay Description:Inhibition of recombinant BACE1 purified from Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed