BDBM205000 I-72

SMILES NC1=N[C@@](C#C)([C@H]2COC[C@H]2O1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F

InChI Key InChIKey=SOYARSISURDFSW-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 205000   

TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandPNGBDBM205000(I-72)
Affinity DataIC50: 13.6nMpH: 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
Go to US Patent