BDBM50553647 CHEMBL4793756

SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2[C@H](CCc12)c1ccc(F)cc1

InChI Key InChIKey=NDVMOVOEROCRIO-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50553647   

TargetPresenilin-1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50553647(CHEMBL4793756)
Affinity DataIC50: 32nMAssay Description:Modulation of gamma secretase (unknown origin) assessed as inhibition of amyloid beta (1 to 42 residues) productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50553647(CHEMBL4793756)
Affinity DataKi:  8.25E+4nMAssay Description:Time-dependent inhibition of CYP3A4 in human liver microsomes assessed as inhibition constant by Kitz-Wilson plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed