BDBM50432604 CHEMBL2347186

SMILES c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3([C@H](COC(=N3)N)F)CF)F

InChI Key InChIKey=MMPPCMJOPZGPPA-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 = 50432604   

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

Curated by ChEMBL
LigandPNGBDBM50432604(CHEMBL2347186)
Affinity DataIC50: 77nMAssay 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
LigandPNGBDBM50432604(CHEMBL2347186)
Affinity DataIC50: 25nMAssay 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)