BDBM204940 I-25

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

InChI Key InChIKey=WGFFOASKSASUPL-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 204940   

TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandPNGBDBM204940(I-25)
Affinity DataIC50: 22.8nMpH: 5.0 T: 2°CAssay Description:48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/7/2018
Entry Details
Go to US Patent

TargetCytochrome P450 2D6(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM204940(I-25)
Affinity DataIC50: 1.00E+4nMAssay 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
TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandPNGBDBM204940(I-25)
Affinity DataIC50: 12nMAssay 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
TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandPNGBDBM204940(I-25)
Affinity DataIC50: 0.580nMAssay 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