BDBM312922 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((3R,4aS)-1-amino-3-methyl-4a-oxo-3,4,6,7,8,9-hexahydro-4a 6-thia-2,5,9a-triaza-benzocyclohepten-3-yl)-4-fluoro-phenyl]-amide::US9605006, 21

SMILES C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F

InChI Key InChIKey=IZKQXZJFEZWPQH-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 = 312922   

TargetBeta-secretase 1(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM312922(US9605006, 21 | 5-(2,2,2-Trifluoro-ethoxy)-pyridin...)
Affinity DataIC50: 10nMAssay Description:The Abeta 40 AlphaLISA Assay can be used. The HEK293 APP cells were seeded in 96 well Microtiter plates in cell culture medium (Iscove's, plus 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2019
Entry Details
Go to US Patent