BDBM50572212 CHEMBL4874257

SMILES OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC(=C2)c2c(onc2-c2ccccc2C(F)(F)F)C2CC2)CC1

InChI Key InChIKey=LUYOTEBFELJFAE-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  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 = 50572212   

TargetBile acid receptor(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572212(CHEMBL4874257)
Affinity DataEC50:  14nMAssay Description:Agonist activity at Gal4-fused human FXR expressed in HEK293 cells incubated for overnight by Steady-Glo luciferase reporter gene based luminescence ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572212(CHEMBL4874257)
Affinity DataIC50: 1.08E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) expressed in baculovirus infected insect supersomes preincubated for 15 mins followed by addition of NADPH rege...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed