BDBM649474 US11891378, Example 4

SMILES C[C@@H]1CN(CCN1C(=O)Cc1ccc(C2CC2)c(F)c1)c1ccc(nn1)C#N

InChI Key InChIKey=VYRSQWBGNGDHPW-UHFFFAOYSA-N

Data  1 IC50

  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 2 hits for monomerid = 649474   

TargetPantothenate kinase 3(Human)
St. Jude Children'S Research Hospital

US Patent
LigandPNGBDBM649474(US11891378, Example 4)
Affinity DataIC50: 12.5nMAssay Description:The assay is not clearly defined.More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/8/2024
Entry Details
US Patent

TargetPantothenate kinase 3(Human)
St. Jude Children'S Research Hospital

US Patent
LigandPNGBDBM649474(US11891378, Example 4)
Affinity DataIC50: 13nMAssay Description:Inhibition of PANK3 (unknown origin) using D-[1-14C]pantothenate as substrate incubated for 10 mins in presence of ATP by scintillation counting anal...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed