BDBM50663885 CHEMBL6163544

SMILES CSc1ccc(C[C@H](C)C(=O)O)cc1Nc1nc(N2CC[C@H](N(C)C)C2)cc(C(F)F)c1C#N

InChI Key

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

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)
Ligand InfoPDB
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: 12nMMore data for this Ligand-Target Pair
Ligand InfoPDB
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: 13nMMore data for this Ligand-Target Pair
Ligand InfoPDB
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: 59nMMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
6/6/2026
Entry Details PubMedPDB3D3D Structure (crystal)