BDBM718647 US20250042890, Example 42

SMILES C#CCNc1nc(=O)n(-c2cccnc2C)c2nc(C(F)(F)F)cc(OC)c12

InChI Key InChIKey=HJJWRUUGMMQRKH-UHFFFAOYSA-N

  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 = 718647   

TargetS-adenosylmethionine synthase isoform type-2(Human)
Insilico Medicine IP

US Patent
LigandPNGBDBM718647(US20250042890, Example 42)
Affinity DataIC50: 50nMAssay Description:Enzyme Reaction(1). Prepared 1×Assay buffer.(2). Preparation of compound concentration gradient: the compounds test condition were 1 uM start, 3-fold...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/12/2025
Entry Details
US Patent