BDBM50030477 CHEBI:77317::CHEMBL458767::SR-12813

SMILES [#6]-[#6]-[#8]P(=O)([#8]-[#6]-[#6])[#6](=[#6]\c1cc(c(-[#8])c(c1)C([#6])([#6])[#6])C([#6])([#6])[#6])\P(=O)([#8]-[#6]-[#6])[#8]-[#6]-[#6]

InChI Key InChIKey=YQLJDECYQDRSBI-UHFFFAOYSA-N

Data  4 EC50

PDB links: 4 PDB IDs match this monomer.

  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 4 hits for monomerid = 50030477   

TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50030477(CHEBI:77317 | CHEMBL458767 | SR-12813)
Affinity DataEC50:  80nMAssay Description:Agonist activity at human pregnane X receptor expressed in HEK293 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
The University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM50030477(CHEBI:77317 | CHEMBL458767 | SR-12813)
Affinity DataEC50:  1.10E+3nMAssay Description:Induction of degradation of Flag-tagged human HMGCR-dCat-ELuc membrane domain (1 to 499 residues) expressed in HEK293 cells assessed as reduction in ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50030477(CHEBI:77317 | CHEMBL458767 | SR-12813)
Affinity DataEC50:  60nMAssay Description:Agonist activity at human PXRMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50030477(CHEBI:77317 | CHEMBL458767 | SR-12813)
Affinity DataEC50:  440nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair