BDBM223395 US9315520, 1::US9315520, Comparator 1::US9315520, Example 1::US9315520, Example 2::US9605007, Example 1

SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1

InChI Key InChIKey=ZLZUHACSRMOLLV-RAALSFIWSA-N

Data  20 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 = 223395   

TargetIsoform D of Beta-secretase 1 (BACE-I-432)(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM223395(US9315520, 1 | US9315520, Comparator 1 | US9315520...)
Affinity DataIC50:  41nMpH: 4.5 T: 2°CAssay Description:The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 c...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetIsoform D of Beta-secretase 1 (BACE-I-432)(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM223395(US9315520, 1 | US9315520, Comparator 1 | US9315520...)
Affinity DataIC50: >1.00E+5nMpH: 4.5 T: 2°CAssay Description:The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 c...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetIsoform D of Beta-secretase 1 (BACE-I-432)(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM223395(US9315520, 1 | US9315520, Comparator 1 | US9315520...)
Affinity DataIC50:  73nMpH: 4.5 T: 2°CAssay Description:The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 c...More data for this Ligand-Target Pair
In DepthDetails US Patent