BDBM769661 US20250282736, Compound M9

SMILES CCC[C@H](CC)Oc1ccc(cc1NC(=O)c2c(n(nn2)c3cc(c(cc3OC)OC)OC)C)C(C)(C)C

InChI Key InChIKey=YFTNXUROGXJXND-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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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
LigandChemical structure of BindingDB Monomer ID 769661BDBM769661(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)