BDBM113281 US10336717, Compound 59::US8633212, 59::US9212153, 59

SMILES COC1CCC2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cccnc2)CC1

InChI Key InChIKey=VXWOTULKVKXBME-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 113281   

TargetIsoform C of Beta-secretase 1 (BACE-I-457)(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM113281(US10336717, Compound 59 | US8633212, 59 | US921215...)
Affinity DataIC50:  1.55E+3nMpH: 4.5 T: 2°CAssay Description:Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM113281(US10336717, Compound 59 | US8633212, 59 | US921215...)
Affinity DataIC50:  1.56E+3nMAssay Description:For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBeta-secretase 1 [1-458](Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM113281(US10336717, Compound 59 | US8633212, 59 | US921215...)
Affinity DataIC50:  1.55E+3nMpH: 4.5 T: 2°CAssay Description:Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity using commercially available substrate HiLyte Fluor 488...More data for this Ligand-Target Pair
In DepthDetails US Patent