BDBM171651 US9085576, 285::US9611261, Example 285

SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12

InChI Key InChIKey=IOBHUULPCQQFMD-AVBTWRTFSA-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 = 171651   

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

US Patent
LigandPNGBDBM171651(US9085576, 285 | US9611261, Example 285)
Affinity DataIC50:  2.20nMpH: 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
LigandPNGBDBM171651(US9085576, 285 | US9611261, Example 285)
Affinity DataIC50:  1.83E+6nMpH: 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
TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM171651(US9085576, 285 | US9611261, Example 285)
Affinity DataIC50:  2.20nMAssay 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
TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM171651(US9085576, 285 | US9611261, Example 285)
Affinity DataIC50:  2.20nMAssay Description:Inhibition of BACE1 (unknown origin) preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM171651(US9085576, 285 | US9611261, Example 285)
Affinity DataIC50:  1.84E+3nMAssay Description:Inhibition of recombinant Cathepsin D (unknown origin) expressed in CHO cells preincubated for 1 hr followed by substrate addition and measured after...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM171651(US9085576, 285 | US9611261, Example 285)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of BACE1 (unknown origin) assessed as reduction in amyloidbeta 40 level after 24 hrs by cell-based sandwich ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Amgen

US Patent
LigandPNGBDBM171651(US9085576, 285 | US9611261, Example 285)
Affinity DataIC50:  1.83E+6nMAssay 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