BDBM113253 US10336717, Compound 122::US8633212, 31::US9212153, 67

SMILES CN1OC2(N=C1N)c1cc(Br)ccc1CC21CCc2ccccc2CC1

InChI Key InChIKey=RZSSUBGVLTWUMX-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 113253   

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

US Patent
LigandPNGBDBM113253(US10336717, Compound 122 | US8633212, 31 | US92121...)
Affinity DataIC50:  64nMpH: 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 [1-458](Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM113253(US10336717, Compound 122 | US8633212, 31 | US92121...)
Affinity DataIC50:  139nMpH: 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
TargetBeta-secretase 1 [1-458](Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM113253(US10336717, Compound 122 | US8633212, 31 | US92121...)
Affinity DataIC50:  64nMpH: 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
TargetBeta-secretase 1(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM113253(US10336717, Compound 122 | US8633212, 31 | US92121...)
Affinity DataIC50:  42.5nMAssay 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
LigandPNGBDBM113253(US10336717, Compound 122 | US8633212, 31 | US92121...)
Affinity DataIC50:  255nMAssay 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
LigandPNGBDBM113253(US10336717, Compound 122 | US8633212, 31 | US92121...)
Affinity DataIC50:  8.40nMAssay 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
LigandPNGBDBM113253(US10336717, Compound 122 | US8633212, 31 | US92121...)
Affinity DataIC50:  64nMAssay 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