BDBM50398692 CHEMBL2178716

SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1cccc(n1)C(F)(F)F)c1cc(cs1)-c1cccc(c1)C#N

InChI Key InChIKey=MRXXJZQTWMXYNQ-UHFFFAOYSA-N

Data  1 KI

  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 1 hit for monomerid = 50398692   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50398692(CHEMBL2178716)
Affinity DataKi:  64nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed