BDBM439297 US10604534, Example 14

SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F

InChI Key InChIKey=IXDJWXKMAOIDHJ-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 439297   

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM439297(US10604534, Example 14)
Affinity DataKi:  2nMAssay Description:BACE-2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2020
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM439297(US10604534, Example 14)
Affinity DataKi:  7.90nMAssay Description:BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2020
Entry Details
Go to US Patent