BDBM223413 US9315520, Comparator 6::US9605007, Comparator 6::US9744173, Comparator 6

SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)C(F)(F)F)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F

InChI Key InChIKey=FLRLJQHWZJIQAA-OJTOOCJTSA-N

Data  6 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 6 hits for monomerid = 223413   

TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM223413(US9315520, Comparator 6 | US9605007, Comparator 6 ...)
Affinity DataIC50: <30nMAssay Description:CYP2D6 inhibition was obtained by measuring inhibition of 5 uM Dextromethorphan in pooled HLM (HL-MIX-102).More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsoform D of Beta-secretase 1 (BACE-I-432)(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM223413(US9315520, Comparator 6 | US9605007, Comparator 6 ...)
Affinity DataIC50:  6nMpH: 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
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM223413(US9315520, Comparator 6 | US9605007, Comparator 6 ...)
Affinity DataIC50: <30nMAssay Description:CYP2D6 inhibition was obtained by measuring inhibition of 5 uM Dextromethorphan in pooled HLM (HL-MIX-102).More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM223413(US9315520, Comparator 6 | US9605007, Comparator 6 ...)
Affinity DataIC50: <30nMAssay Description:CYP2D6 inhibition was obtained by measuring inhibition of 5 uM Dextromethorphan in pooled HLM (HL-MIX-102).More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM223413(US9315520, Comparator 6 | US9605007, Comparator 6 ...)
Affinity DataIC50:  6nMAssay 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
LigandPNGBDBM223413(US9315520, Comparator 6 | US9605007, Comparator 6 ...)
Affinity DataIC50:  6nMAssay Description:The BACE1 and BACE2 binding assays measured beta-site amyloid precursor protein-cleaving enzyme (BACE) binding as a decrease in the counts of radioli...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent