BDBM50663885 CHEMBL6163544

SMILES C[C@@H](Cc1ccc(c(c1)Nc2c(c(cc(n2)N3CC[C@@H](C3)N(C)C)C(F)F)C#N)SC)C(=O)O

InChI Key InChIKey=LPDOIXPRZOWBJV-UHFFFAOYSA-N

Data  4 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50663885   

TargetKetohexokinase(Rat)
Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50663885BDBM50663885(CHEMBL6163544)
Affinity DataIC50: 3nMAssay Description:Inhibition of recombinant His-tagged rat KHK-C using D-fructose as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Human)
Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50663885BDBM50663885(CHEMBL6163544)
Affinity DataIC50: 12nMAssay Description:Inhibition of recombinant His-tagged human KHK-A using D-fructose as substrate incubated for 60 mins by ADP-Glo kinase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Human)
Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50663885BDBM50663885(CHEMBL6163544)
Affinity DataIC50: 13nMAssay Description:Inhibition of recombinant His-tagged human KHK-C using D-fructose as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetKetohexokinase(Mouse)
Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50663885BDBM50663885(CHEMBL6163544)
Affinity DataIC50: 59nMAssay Description:Inhibition of KHK in mouse hepatocytes using D-fructose as substrate assessed as reduction in fructose-1-phosphate level preincubated for 30 mins fol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMedPDB3D3D Structure (crystal)