BDBM50629380 CHEMBL5430902

SMILES C[C@H]1CCN1c1nc(cc(c1C#N)C(F)(F)F)N1CCC2(CC(C2)C(O)=O)C1

InChI Key InChIKey=SHPMQVMFSYBMAJ-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 = 50629380   

TargetKetohexokinase(Human)
Youngene Therapeutics

US Patent
LigandPNGBDBM50629380(CHEMBL5430902 | US20250145619, Example 6)
Affinity DataIC50: 19.1nMAssay Description:I. Experimental Procedures:1) The compounds were transferred to a 384 reaction plates (PE, 6007290) with Echo (Labcyte, 550);2) After centrifugation,...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/9/2025
Entry Details
US Patent

TargetKetohexokinase(Human)
Youngene Therapeutics

US Patent
LigandPNGBDBM50629380(CHEMBL5430902 | US20250145619, Example 6)
Affinity DataIC50: 280nMAssay Description:Inhibition of N-terminal his tagged human recombinant KHK-C expressed in Escherichia coli incubated for 60 mins in presence of ATP by ADP Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed