BDBM50432606 CHEMBL2347206::US8999980, I-53

SMILES NC1=N[C@](CCO1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F

InChI Key InChIKey=ZQBDXEARYNLKKR-SFHVURJKSA-N

Data  3 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 3 hits for monomerid = 50432606   

TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi

US Patent
LigandPNGBDBM50432606(CHEMBL2347206 | US8999980, I-53)
Affinity DataIC50:  46nMpH: 5.0 T: 2°CAssay Description:48.5 .mu.L of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=.epsilon.-amino-n-capronic acid, Eu=Europium cryptate) was added to each well...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi

US Patent
LigandPNGBDBM50432606(CHEMBL2347206 | US8999980, I-53)
Affinity DataIC50:  9nMAssay 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
TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi

US Patent
LigandPNGBDBM50432606(CHEMBL2347206 | US8999980, I-53)
Affinity DataIC50:  54nMAssay 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