BDBM50432623 CHEMBL2347367

SMILES CCOc1ccc(nc1)C(=O)Nc2ccc(c(c2)[C@@]3(C(COC(=N3)N)(F)F)C)F

InChI Key InChIKey=DWKGLYKXNUIYDM-UHFFFAOYSA-N

Data  3 IC50

PDB links: 2 PDB IDs match 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 3 hits for monomerid = 50432623   

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

Curated by ChEMBL
LigandPNGBDBM50432623(CHEMBL2347367)
Affinity DataIC50: 184nMAssay 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
LigandPNGBDBM50432623(CHEMBL2347367)
Affinity DataIC50: 480nMAssay 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)
TargetBeta-secretase 2(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50432623(CHEMBL2347367)
Affinity DataIC50: 904nMAssay Description:Inhibition of human BACE2 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)