BDBM50668353 CHEMBL6190284

SMILES CCNc1cccc2c1NC(=O)C2(C)C

InChI Key InChIKey=VMTHAQTXUNNKEB-UHFFFAOYSA-N

Data  2 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 = 50668353   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50668353BDBM50668353(CHEMBL6190284)
Affinity DataIC50: 310nMAssay Description:Inhibition of PDHK1 (unknown origin) in presence of 0.5 uM ATPMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Human)
China Innovation Center of Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50668353BDBM50668353(CHEMBL6190284)
Affinity DataIC50: 1.02E+3nMAssay Description:Inhibition of PDHK1 (unknown origin) in presence of 20 uM ATPMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed