BDBM50012653 CHEMBL3261067

SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N

InChI Key InChIKey=BQFHTVUWPJXLOW-VQTJNVASSA-N

Data  22 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50012653   

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

US Patent
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50:  10nMpH: 4.5 T: 2°CAssay Description:Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...More data for this Ligand-Target Pair
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50:  98nMAssay Description:Inhibition of wild type APP751 (unknown origin) expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50:  5nMAssay Description:Inhibition of human BACE1More data for this Ligand-Target Pair
TargetBeta-secretase 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50:  6nMAssay Description:Inhibition of human BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of Cathepsin D (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50:  5nMAssay Description:Inhibition of human recombinant BACE1 catalytic domain using FRET substrateMore data for this Ligand-Target Pair
TargetBeta-secretase 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50:  5nMAssay Description:Inhibition of human recombinant BACE2 catalytic domain using FRET substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of human cathepsin D using Mca-GKPILFFRLK(DNP)D-R-NH2 as a substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated 10 mins in presence of NADPH by solid phase extraction mass spe...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated 10 mins in presence of NADPH by solid phase extraction mass spe...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated 10 mins in presence of NADPH by solid phase extraction mass sp...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50:  4nMAssay Description:Inhibition of wild type human APP expressed in CHO cells assessed as reduction in soluble APP beta level incubated for 24 hrs by immunoassayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50:  3nMAssay Description:Inhibition of wild type human APP751 expressed in CHO cells incubated for 24 hrs by immunoassayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin E(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of human cathepsin E using Mca-GKPILFFRLK(DNP)D-R-NH2 as a substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50:  3nMAssay Description:Inhibition of wild type human APP expressed in CHO cells assessed as reduction in amyloid beta 40 secretion incubated for 24 hrs by immunoassayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50:  3nMAssay Description:Inhibition of wild type human APP expressed in CHO cells assessed as reduction in amyloid beta 42 secretion incubated for 24 hrs by immunoassayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human ERG by patch clamp methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50:  5nMAssay Description:Inhibition of human recombinant BACE1 catalytic domain using FRET substrate with BACE-cleavable sequenceMore data for this Ligand-Target Pair
TargetBeta-secretase 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50:  5nMAssay Description:Inhibition of human recombinant BACE2 catalytic domain using FRET substrate with BACE-cleavable sequenceMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of human Cathepsin D using Mca-GKPILFFRLK(DNP)D-R-NH2 as a substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin E(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of human Cathepsin E using Mca-GKPILFFRLK(DNP)D-R-NH2 as a substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50:  10nMAssay Description:Inhibition of recombinant human BACE1 extracellular domain expressed in baculovirus using fluorescence-quenched peptide substrate derived from APP se...More data for this Ligand-Target Pair