BDBM47353 BDBM143220::US9029362, 173::US9687494, 25

SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F

InChI Key InChIKey=YHYKUSGACIYRML-KRWDZBQOSA-N

Data  10 KI  8 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 18 hits for monomerid = 47353   

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataKi:  0.370nM ΔG°:  -13.1kcal/molepH: 5.0 T: 30°CAssay Description:Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataKi:  0.370nM ΔG°:  -13.1kcal/molepH: 5.0 T: 30°CAssay Description:Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataKi:  0.470nM ΔG°:  -12.9kcal/molepH: 5.0 T: 30°CAssay Description:Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataKi:  0.470nM ΔG°:  -12.9kcal/molepH: 5.0 T: 30°CAssay Description:Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataKi:  1.75nMpH: 5.01Assay Description:The protocol that was used to determine the recited values isdescribed as follows.BACE1 HTRF FRET AssayReagentsNa+-Acetate pH 5.01% Brij-35GlycerolDi...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataKi:  1.75nM ΔG°:  -12.1kcal/molepH: 5.0 T: 30°CAssay Description:A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monit...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataKi:  4.88nM ΔG°:  -11.5kcal/molepH: 5.0 T: 30°CAssay Description:Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataKi:  4.88nM ΔG°:  -11.5kcal/molepH: 5.0 T: 30°CAssay Description:A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monit...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataKi:  370nMpH: 5.0Assay Description:This assay monitored the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataKi:  1.75E+3nMpH: 5.0Assay Description:This assay monitored the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataIC50:  0.380nMAssay Description:Inhibition of human BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataIC50:  2.20nMAssay Description:Inhibition of human BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human Cathepsin D using Mca-Gly-Lys-Pro-Ile-Leu-Phe-PheArg-Leu-Lys(Dnp)-D-Arg-NH2 as substrate after 45 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataIC50:  21nMAssay Description:Inhibition of recombinant human BACE1 preincubated with enzyme for 20 mins followed by addition of Rh-EVNLDAEFK-Quencher as substrate measured after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataIC50:  85nMAssay Description:Inhibition of BACE-1 (unknown origin) using Mca-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-Dnp-OH as substrate preincubated for 30 mins followed by subs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataIC50:  1.90nMAssay Description:Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM47353(BDBM143220 | US9029362, 173 | US9687494, 25)
Affinity DataIC50:  1.90nMAssay Description:Inhibition of BACE2 (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate incubated for 2 hrs by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed