BDBM50432597 CHEMBL2347189

SMILES C[C@]1([C@H]([C@@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N

InChI Key InChIKey=UMHIFKHNODSZCU-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50432597   

TargetBeta-secretase 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50432597(CHEMBL2347189)
Affinity DataIC50: 40nMAssay Description:Inhibition of human BACE1 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50432597(CHEMBL2347189)
Affinity DataIC50: 150nMAssay Description:Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)