BDBM50609759 CHEMBL5277632

SMILES CCCCNc1cc(NC(=O)c2nnn(c2C)-c2cc(OC)ccc2OC)cc(c1)C(C)(C)C

InChI Key InChIKey=CFPIFZDXIODBDX-UHFFFAOYSA-N

Data  3 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 4 hits for monomerid = 50609759   

TargetNuclear receptor subfamily 1 group I member 2(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50609759(CHEMBL5277632 | US20250282736, Compound D4)
Affinity DataIC50: 39nMAssay Description:Inverse agonist activity at human PXR in human HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter assessed as inhibition of r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50609759(CHEMBL5277632 | US20250282736, Compound D4)
Affinity DataIC50: 130nMAssay Description:Antagonist activity at human PXR in human HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter assessed as inhibition in rifamp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50609759(CHEMBL5277632 | US20250282736, Compound D4)
Affinity DataIC50: 450nMAssay Description:Inhibition of BODIPY FL vindoline binding to recombinant human GST-tagged PXR LBD (111 to 434 residues) expressed in baculovirus infected insect cell...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50609759(CHEMBL5277632 | US20250282736, Compound D4)
Affinity DataIC50: 450nMAssay Description:PXR can be determined in an in vitro assay system. Such in vitro assay systems include assay such as the assays as described herein.More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2025
Entry Details
US Patent