BDBM171422 US9085576, 56::US9611261, Example 56

SMILES CC#CCOc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)O[C@@H]3C[C@H]23)c(C)c1

InChI Key InChIKey=SMPDRZSUSJZGCD-GEQKSPFYSA-N

Data  4 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 4 hits for monomerid = 171422   

TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM171422(US9085576, 56 | US9611261, Example 56)
Affinity DataIC50:  12.9nMpH: 4.2Assay Description:The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCathepsin D(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM171422(US9085576, 56 | US9611261, Example 56)
Affinity DataIC50:  3.03E+5nMAssay Description:Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM171422(US9085576, 56 | US9611261, Example 56)
Affinity DataIC50:  12.9nMAssay Description:The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCathepsin D(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM171422(US9085576, 56 | US9611261, Example 56)
Affinity DataIC50:  3.03E+5nMpH: 3.5Assay Description:Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...More data for this Ligand-Target Pair
In DepthDetails US Patent