BDBM160666 US9045498, 8

SMILES NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1cc(CNCC(F)(F)F)c(F)cc1F

InChI Key InChIKey=KXRWMDHPUURSND-UHFFFAOYSA-N

Data  9 IC50

PDB links: 1 PDB ID matches this monomer.

  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 9 hits for monomerid = 160666   

TargetBeta-secretase 1(Human)
Pfizer

US Patent
LigandPNGBDBM160666(US9045498, 8)
Affinity DataIC50: 76nMAssay 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 Diseas...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetCathepsin D(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM160666(US9045498, 8)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Cathepsin D (unknown origin) by cell free assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM160666(US9045498, 8)
Affinity DataIC50: 9.10E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-secretase 2(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM160666(US9045498, 8)
Affinity DataIC50: 295nMAssay Description:Inhibition of BACE2 (unknown origin) by cell free assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-secretase 1(Human)
Pfizer

US Patent
LigandPNGBDBM160666(US9045498, 8)
Affinity DataIC50: 77nMAssay Description:Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization ass...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPotassium voltage-gated channel subfamily H member 2(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM160666(US9045498, 8)
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of human ERG expressed in CHO cells at -80 mV holding potential after 5 mins by patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-secretase 1(Human)
Pfizer

US Patent
LigandPNGBDBM160666(US9045498, 8)
Affinity DataIC50: 0.00600nMAssay Description:Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Pfizer

US Patent
LigandPNGBDBM160666(US9045498, 8)
Affinity DataIC50: 77nMAssay Description:Inhibition of BACE1 (unknown origin) expressed in CHO-K1 cells using Biotin-GLTNIKTEEISEISYAEVEFR-C[Oregon Green]KK-OH as substrate incubated for 3 h...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Pfizer

US Patent
LigandPNGBDBM160666(US9045498, 8)
Affinity DataIC50: 6nMAssay Description:Inhibition of BACE1 in human H4 cells transfected with APP695 assessed as reduction in APP level incubated for 18 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)