BDBM389136 US9949975, Example 4

SMILES CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCCCC3)C2=O)C#N)CC[C@H]1OC

InChI Key InChIKey=MSCFHZQTZHCGEH-UHFFFAOYSA-N

Data  1 IC50

  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 = 389136   

TargetBeta-secretase 1(Human)
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM389136(US9949975, Example 4)
Affinity DataIC50: 5nMAssay Description:Assay 1:The assay was performed in the presence of OptiMEM (supernatant collected over 24 h and cleared from cellular debris by centrifugation) conta...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2020
Entry Details
Go to US Patent