BDBM769661 US20250282736, Compound M9

SMILES CCC[C@H](CC)Oc1ccc(C(C)(C)C)cc1NC(=O)c3nnn(c2cc(OC)c(OC)cc2OC)c3C

InChI Key

PDB links: 1 PDB ID matches 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 1 hit for monomerid = 769661   

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

US Patent
LigandPNGBDBM769661(US20250282736, Compound M9)
Affinity DataIC50: 7.80nMAssay 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
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
12/22/2025
Entry Details
US Patent
PDB3D3D Structure (crystal)