BDBM223400 US9315520, 45::US9315520, Example 45::US9605007, Example 45::US9744173, Example 45

SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1

InChI Key InChIKey=CHAGAOAUIITKPC-ADWYPQAOSA-N

Data  16 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 16 hits for monomerid = 223400   

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

US Patent
LigandPNGBDBM223400(US9315520, 45 | US9315520, Example 45 | US9605007,...)
Affinity DataIC50:  23nMpH: 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

Curated by ChEMBL
LigandPNGBDBM223400(US9315520, 45 | US9315520, Example 45 | US9605007,...)
Affinity DataIC50:  8.70nMAssay Description:Displacement of [3H]-PF-6475886 from recombinant human full length FL-tagged BACE1 expressed in HEK293 cell membranes after 30 mins by parallel scint...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
LigandPNGBDBM223400(US9315520, 45 | US9315520, Example 45 | US9605007,...)
Affinity DataIC50:  9.60E+3nMT: 2°CAssay 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
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM223400(US9315520, 45 | US9315520, Example 45 | US9605007,...)
Affinity DataIC50: <3.00E+4nMAssay 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
LigandPNGBDBM223400(US9315520, 45 | US9315520, Example 45 | US9605007,...)
Affinity DataIC50:  9.60E+3nMAssay 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

Curated by ChEMBL
LigandPNGBDBM223400(US9315520, 45 | US9315520, Example 45 | US9605007,...)
Affinity DataIC50:  23nMAssay 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

Curated by ChEMBL
LigandPNGBDBM223400(US9315520, 45 | US9315520, Example 45 | US9605007,...)
Affinity DataIC50:  23nMAssay 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

Curated by ChEMBL
LigandPNGBDBM223400(US9315520, 45 | US9315520, Example 45 | US9605007,...)
Affinity DataIC50:  23nMAssay 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
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM223400(US9315520, 45 | US9315520, Example 45 | US9605007,...)
Affinity DataIC50: >3.00E+7nMAssay 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
TargetCathepsin D(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM223400(US9315520, 45 | US9315520, Example 45 | US9605007,...)
Affinity DataIC50: >7.03E+4nMAssay 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

Curated by ChEMBL
LigandPNGBDBM223400(US9315520, 45 | US9315520, Example 45 | US9605007,...)
Affinity DataIC50:  2.90nMAssay 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
TargetBeta-secretase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM223400(US9315520, 45 | US9315520, Example 45 | US9605007,...)
Affinity DataIC50:  23nMAssay 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
TargetBeta-secretase 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM223400(US9315520, 45 | US9315520, Example 45 | US9605007,...)
Affinity DataIC50:  71nMAssay 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 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM223400(US9315520, 45 | US9315520, Example 45 | US9605007,...)
Affinity DataIC50:  57nMAssay Description:Displacement of [3H]-PF-6475886 from recombinant human full length Myc-DDK-tagged BACE2 expressed in HEK293 cell membranes after 30 mins by parallel ...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
LigandPNGBDBM223400(US9315520, 45 | US9315520, Example 45 | US9605007,...)
Affinity DataIC50:  9.60E+3nMAssay 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
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM223400(US9315520, 45 | US9315520, Example 45 | US9605007,...)
Affinity DataIC50: >3.00E+4nMAssay 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