BDBM204939 I-21

SMILES NC1=N[C@@](C#C)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F

InChI Key InChIKey=USKPPLKTZAAGIU-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 204939   

TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandPNGBDBM204939(I-21)
Affinity DataIC50: 65.4nMpH: 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

TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandPNGBDBM204939(I-21)
Affinity DataIC50: 23nMAssay Description:Inhibition of human BACE1 using Biotin-XSEVNLDAEFRHDSGC as substrate incubated for 3.5 hrs by fluorescence methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed