BDBM50432608 CHEMBL2347204::US8754075, 4

SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F

InChI Key InChIKey=ALKHFUPBQSAGMS-MAUKXSAKSA-N

Data  5 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 5 hits for monomerid = 50432608   

TargetBeta-secretase 1(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM50432608(CHEMBL2347204 | US8754075, 4)
Affinity DataIC50:  1nMT: 2°CAssay Description:The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...More data for this Ligand-Target Pair
TargetBeta-secretase 2(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM50432608(CHEMBL2347204 | US8754075, 4)
Affinity DataIC50:  21nMT: 2°CAssay Description:The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM50432608(CHEMBL2347204 | US8754075, 4)
Affinity DataIC50:  48nMAssay Description:Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21(DE3) using Biotin-epsilon-amino-n-capronic acid-SEVNLDA...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM50432608(CHEMBL2347204 | US8754075, 4)
Affinity DataIC50:  28nMAssay 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
TargetBeta-secretase 1(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM50432608(CHEMBL2347204 | US8754075, 4)
Affinity DataIC50:  1nMAssay 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