BDBM50398692 CHEMBL2178716

SMILES CN1C(=O)[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@]2(c2cc(-c3cccc(C#N)c3)cs2)N=C1N

InChI Key InChIKey=MRXXJZQTWMXYNQ-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50398692   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50398692BDBM50398692(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