BDBM204996 I-28

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

InChI Key InChIKey=OKVDXCCPCFSPRO-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 204996   

TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandPNGBDBM204996(I-28)
Affinity DataIC50: 27.6nMpH: 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
US Patent

TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandPNGBDBM204996(I-28)
Affinity DataIC50: 28nMAssay 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