BDBM50668361 CHEMBL6192657

SMILES CCNc1cc(cc2c1NC(=O)N2c3ccc(cc3)Oc4cccc(c4)S(=O)(=O)F)F

InChI Key InChIKey=SOZNBDVDUWCDFT-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50668361   

Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Human)
China Innovation Center of Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50668361BDBM50668361(CHEMBL6192657)
Affinity DataIC50: 28nMAssay Description:Inhibition of PDHK1 (unknown origin) in presence of 20 uM ATPMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Human)
China Innovation Center of Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50668361BDBM50668361(CHEMBL6192657)
Affinity DataIC50: 120nMAssay Description:Inhibition of PDHK2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial(Human)
China Innovation Center of Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50668361BDBM50668361(CHEMBL6192657)
Affinity DataIC50: 900nMAssay Description:Inhibition of PDHK4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial(Human)
China Innovation Center of Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50668361BDBM50668361(CHEMBL6192657)
Affinity DataIC50: 3.14E+3nMAssay Description:Inhibition of PDHK3 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed