BDBM50462008 CHEMBL4227851

SMILES C[C@@]1(N=C(N)O[C@@H]([C@@H]1F)C1(F)CC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F

InChI Key InChIKey=IGZKUFGUJFXVMF-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50462008   

TargetBeta-secretase 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462008(CHEMBL4227851)
Affinity DataIC50: 72nMAssay Description:Inhibition of BACE2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462008(CHEMBL4227851)
Affinity DataIC50: 3nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462008(CHEMBL4227851)
Affinity DataIC50: 21nMAssay 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
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462008(CHEMBL4227851)
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCathepsin D(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462008(CHEMBL4227851)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Cathepsin D (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed