BDBM50544012 CHEMBL4632880

SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C(C)C)C(O)=O)-c1c(Cl)cccc1Cl

InChI Key InChIKey=WEQCBHLCVIEONC-UHFFFAOYSA-N

Data  1 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50544012   

TargetBile acid receptor(Human)
Hiroshima International University

Curated by ChEMBL
LigandPNGBDBM50544012(CHEMBL4632880)
Affinity DataEC50:  3.40nMAssay Description:Agonist activity at human FXR expressed in human HuH7 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetBile acid receptor(Human)
Hiroshima International University

Curated by ChEMBL
LigandPNGBDBM50544012(CHEMBL4632880)
Affinity DataEC50:  57nMAssay Description:Agonist activity at GST-fused FXR-LBD (unknown origin) incubated with Fluorecein-SRC2-2 coactivator peptide as substrate by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetVitamin D3 receptor(Human)
Hiroshima International University

Curated by ChEMBL
LigandPNGBDBM50544012(CHEMBL4632880)
Affinity DataIC50: 3.55E+3nMAssay Description:Antagonist activity at human VDR transfected in HEK293T cells measured after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed