BDBM50078320 CHEMBL3414700::US9260455, 4

SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)C(F)F)c1ccc(F)cc1F

InChI Key InChIKey=JPLGMHYUAWBTII-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50078320   

TargetIsoform D of Beta-secretase 1 (BACE-I-432)(Human)
Pfizer

US Patent
LigandPNGBDBM50078320(CHEMBL3414700 | US9260455, 4)
Affinity DataIC50: 672nMpH: 4.5 T: 2°CAssay Description:A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/9/2017
Entry Details
Go to US Patent

TargetBeta-secretase 2(Human)
Pfizer

US Patent
LigandPNGBDBM50078320(CHEMBL3414700 | US9260455, 4)
Affinity DataIC50: 2.14E+3nMpH: 4.5 T: 2°CAssay Description:This assay measures the inhibition of the BACE2 enzyme as it cleaves a non-native peptide. A synthetic substrate that can be cleaved by BACE2 having ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/9/2017
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
Eurofarma Laboratorios

Curated by ChEMBL
LigandPNGBDBM50078320(CHEMBL3414700 | US9260455, 4)
Affinity DataIC50: 59nMAssay Description:Inhibition of BACE1 in human H4 cells overexpressing APP695 assessed as sAPPbeta level after 18 hrs by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/26/2016
Entry Details Article
PubMed
TargetCathepsin D(Human)
Eurofarma Laboratorios

Curated by ChEMBL
LigandPNGBDBM50078320(CHEMBL3414700 | US9260455, 4)
Affinity DataIC50: 8.31E+4nMAssay Description:Inhibition of CatD (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/26/2016
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Eurofarma Laboratorios

Curated by ChEMBL
LigandPNGBDBM50078320(CHEMBL3414700 | US9260455, 4)
Affinity DataIC50: 670nMAssay Description:Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon Green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/26/2016
Entry Details Article
PubMed