BDBM50609781 CHEMBL5276468

SMILES CCCCOc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(OC)ccc1OC)C(C)(C)C

InChI Key InChIKey=WHDMCAYPARZARS-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 5 hits for monomerid = 50609781   

TargetNuclear receptor subfamily 1 group I member 2(Human)
ST. JUDE CHILDREN''S RESEARCH HOSPITAL

US Patent
LigandPNGBDBM50609781(CHEMBL5276468 | US20250282736, Compound K1)
Affinity DataIC50: 22nMAssay 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

TargetNuclear receptor subfamily 1 group I member 2(Human)
ST. JUDE CHILDREN''S RESEARCH HOSPITAL

US Patent
LigandPNGBDBM50609781(CHEMBL5276468 | US20250282736, Compound K1)
Affinity DataIC50: 22nMAssay 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

US Patent
LigandPNGBDBM50609781(CHEMBL5276468 | US20250282736, Compound K1)
Affinity DataIC50: 24nMAssay 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

US Patent
LigandPNGBDBM50609781(CHEMBL5276468 | US20250282736, Compound K1)
Affinity DataIC50: 240nMAssay 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

TargetNuclear receptor subfamily 1 group I member 2(Human)
ST. JUDE CHILDREN''S RESEARCH HOSPITAL

US Patent
LigandPNGBDBM50609781(CHEMBL5276468 | US20250282736, Compound K1)
Affinity DataIC50: 240nMAssay 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