BDBM113345 US10336717, Compound 513::US8633212, 513::US9212153, 513

SMILES COCCN1C(N)=NC2(C1=O)c1cc(CCC(C)C)ccc1C[C@@]21CC[C@@H](CC1)OC

InChI Key InChIKey=KHEVEQJKEGRYGK-QXONTCKQSA-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 = 113345   

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

US Patent
LigandPNGBDBM113345(US10336717, Compound 513 | US8633212, 513 | US9212...)
Affinity DataIC50:  9nMAssay 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(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM113345(US10336717, Compound 513 | US8633212, 513 | US9212...)
Affinity DataIC50:  9nMAssay 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
LigandPNGBDBM113345(US10336717, Compound 513 | US8633212, 513 | US9212...)
Affinity DataIC50:  9nMpH: 4.4Assay 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