BDBM312936 US9605007, Comparator 3::US9744173, Comparator 4

SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F

InChI Key InChIKey=ZRDISNFFMHLYBW-OABGYEMISA-N

Data  10 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 10 hits for monomerid = 312936   

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

US Patent
LigandPNGBDBM312936(US9605007, Comparator 3 | US9744173, Comparator 4)
Affinity DataIC50:  3nMAssay 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
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM312936(US9605007, Comparator 3 | US9744173, Comparator 4)
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
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM312936(US9605007, Comparator 3 | US9744173, Comparator 4)
Affinity DataIC50:  400nMAssay Description:All testing was carried out in CHO cells transfected with the hERG gene purchased from Millipore (PrecisION hERG-CHO Recombinant Cell Line CYL3038). ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM312936(US9605007, Comparator 3 | US9744173, Comparator 4)
Affinity DataIC50:  3nMAssay 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
LigandPNGBDBM312936(US9605007, Comparator 3 | US9744173, Comparator 4)
Affinity DataIC50: <1nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM312936(US9605007, Comparator 3 | US9744173, Comparator 4)
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
LigandPNGBDBM312936(US9605007, Comparator 3 | US9744173, Comparator 4)
Affinity DataIC50:  65nMAssay 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
LigandPNGBDBM312936(US9605007, Comparator 3 | US9744173, Comparator 4)
Affinity DataIC50:  3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM312936(US9605007, Comparator 3 | US9744173, Comparator 4)
Affinity DataIC50:  400nMAssay Description:Inhibition of human ERG expressed in CHO cells at holding potential of -80 mV by patch clamp methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM312936(US9605007, Comparator 3 | US9744173, Comparator 4)
Affinity DataIC50:  9nMAssay 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