BDBM50012653 CHEMBL3261067

SMILES Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(CO[C@@](C(=N3)N)(C)C(F)(F)F)C)F)C#N

InChI Key InChIKey=BQFHTVUWPJXLOW-UHFFFAOYSA-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   

TargetAmyloid-beta precursor protein(Human)
TBA

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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetAmyloid-beta precursor protein(Human)
TBA

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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCathepsin E(Human)
Novartis Pharma

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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCathepsin D(Human)
Novartis Pharma

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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Novartis Pharma

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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Novartis Pharma

Curated by ChEMBL
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
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG by patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetAmyloid-beta precursor protein(Human)
TBA

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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetAmyloid-beta precursor protein(Human)
TBA

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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCathepsin E(Human)
Novartis Pharma

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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetAmyloid-beta precursor protein(Human)
TBA

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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Novartis Pharma

Curated by ChEMBL
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
In Depth
Date in BDB:
3/9/2015
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetCytochrome P450 2C9(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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 2D6(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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCathepsin D(Human)
Novartis Pharma

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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Novartis Pharma

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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50: 5nMAssay Description:Inhibition of human recombinant BACE1 catalytic domain using FRET substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCathepsin D(Human)
Novartis Pharma

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 Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50: 6nMAssay Description:Inhibition of human BACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50012653(CHEMBL3261067)
Affinity DataIC50: 5nMAssay Description:Inhibition of human BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Novartis Pharma

Curated by ChEMBL
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
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)