BDBM50572218 CHEMBL4872481

SMILES OC(=O)c1ccc2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1

InChI Key InChIKey=UXZHKRXZCXSKGC-UHFFFAOYSA-N

Data  2 IC50  2 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 4 hits for monomerid = 50572218   

TargetBile acid receptor(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572218(CHEMBL4872481)
Affinity DataEC50:  63nMAssay 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
TargetBile acid receptor(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572218(CHEMBL4872481)
Affinity DataEC50:  415nMAssay Description:Agonist activity at His-tagged human FXR LBD assessed as induction of coactivator SRC-1 peptide recruitment measured after 30 mins by plate reader an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572218(CHEMBL4872481)
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of CYP2C8 (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
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572218(CHEMBL4872481)
Affinity DataIC50: 1.90E+3nMAssay 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