BDBM223330 US9315520, 17::US9605007, Example 17::US9744173, Example 17

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

InChI Key InChIKey=ZZHRZUNUORUAKI-NSTVUXKKSA-N

Data  8 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 8 hits for monomerid = 223330   

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

US Patent
LigandPNGBDBM223330(US9315520, 17 | US9605007, Example 17 | US9744173,...)
Affinity DataIC50:  54nMpH: 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM223330(US9315520, 17 | US9605007, Example 17 | US9744173,...)
Affinity DataIC50:  54nMAssay Description:Beta-secretase (BACE) is one of the enzymes involved in the generation of the amyloid beta peptide found in the amyloid plaques of Alzheimer's Di...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM223330(US9315520, 17 | US9605007, Example 17 | US9744173,...)
Affinity DataIC50:  54nMAssay Description:Beta-secretase (BACE) is one of the enzymes involved in the generation of the amyloid beta peptide found in the amyloid plaques of Alzheimer's Di...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCathepsin D(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM223330(US9315520, 17 | US9605007, Example 17 | US9744173,...)
Affinity DataIC50: >3.00E+5nMAssay Description:Inhibition of Cathepsin D (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM223330(US9315520, 17 | US9605007, Example 17 | US9744173,...)
Affinity DataIC50:  4.80nMAssay Description:Inhibition of BACE1 in human H4 cells transfected with wild type APP assessed as reduction in soluble portion of APPbeta level in cells incubated for...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM223330(US9315520, 17 | US9605007, Example 17 | US9744173,...)
Affinity DataIC50:  1.17E+4nMAssay Description:Inhibition of human ERG expressed in CHOK1 cells for 5 mins at -80 mV holding potential by patch clamp methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM223330(US9315520, 17 | US9605007, Example 17 | US9744173,...)
Affinity DataIC50:  338nMAssay Description:Inhibition of human BACE2 using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM223330(US9315520, 17 | US9605007, Example 17 | US9744173,...)
Affinity DataIC50:  60nMAssay Description:Inhibition of human BACE1 using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed