BDBM50545826 CHEMBL4634696

SMILES COc1cc(ccc1-n1cnc(C)c1)C1=CC2=NO[C@@H](CN2CCC1)c1cc(F)c(F)c(F)c1

InChI Key InChIKey=JBNQYKISHRGLQY-UHFFFAOYSA-N

Data  6 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50545826   

TargetPresenilin-1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50545826(CHEMBL4634696)
Affinity DataIC50: 107nMAssay Description:Modulation of gamma secretase in HEK293 cells transfected with human APP with Swedish and London familial AD mutation assessed as reduction in Abeta4...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
LigandPNGBDBM50545826(CHEMBL4634696)
Affinity DataIC50: 3.35E+3nMAssay Description:Inhibition of MK499 binding to human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50545826(CHEMBL4634696)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
LigandPNGBDBM50545826(CHEMBL4634696)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50545826(CHEMBL4634696)
Affinity DataIC50: 3.40E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50545826(CHEMBL4634696)
Affinity DataIC50: 4.80E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed