BDBM655985 US20240067633, Isomer 2 of compound 3

SMILES C[C@H]1CCN1c1nc(N2C[C@@H]3C[C@H](C2)[C@H]3CC(O)=O)c2CCCC(F)(F)c2n1

InChI Key InChIKey=HNGVGNFDSONUHU-XPCVCDNBSA-N

Data  4 EC50

  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 4 hits for monomerid = 655985   

TargetKetohexokinase(Homo sapiens (Human))
Sichuan Haisco Pharmaceutical Co.

US Patent
LigandPNGBDBM655985(US20240067633, Isomer 2 of compound 3)
Affinity DataEC50:  37.4nMAssay Description:Experiment of Inhibitory Activity Against KHK In Vitro: With the involvement of ATP, fructokinase phosphorylates fructose to produce fructose-1-phosp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKetohexokinase(Rattus norvegicus)
Sichuan Haisco Pharmaceutical Co.

US Patent
LigandPNGBDBM655985(US20240067633, Isomer 2 of compound 3)
Affinity DataEC50:  146nMAssay Description:Experiment of Inhibitory Activity Against KHK In Vitro: With the involvement of ATP, fructokinase phosphorylates fructose to produce fructose-1-phosp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKetohexokinase(Mouse)
Sichuan Haisco Pharmaceutical Co.

US Patent
LigandPNGBDBM655985(US20240067633, Isomer 2 of compound 3)
Affinity DataEC50:  134nMAssay Description:Experiment of Inhibitory Activity Against KHK In Vitro: With the involvement of ATP, fructokinase phosphorylates fructose to produce fructose-1-phosp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKetohexokinase Isoform A(Homo sapiens (Human))
Sichuan Haisco Pharmaceutical Co.

US Patent
LigandPNGBDBM655985(US20240067633, Isomer 2 of compound 3)
Affinity DataEC50:  51.8nMAssay Description:Experiment of Inhibitory Activity Against KHK In Vitro: With the involvement of ATP, fructokinase phosphorylates fructose to produce fructose-1-phosp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent