BDBM670749 2-cyano-N-[(3R)-1-[3-ethyl-7-(ethylamino)-5-fluoro-2-oxo-indolin-3-yl]-3-piperidyl]-2-azaspiro[3.3]heptane-6-carboxamide::US20240140933, Example 39

SMILES CCNc1cc(F)cc2c1NC(=O)C2(CC)N1CCC[C@H](C1)NC(=O)C1CC2(C1)CN(C2)C#N

InChI Key InChIKey=SXYDOCWKRRIRAC-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 670749   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 670749BDBM670749(2-cyano-N-[(3R)-1-[3-ethyl-7-(ethylamino)-5-fluoro...)
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 670749BDBM670749(2-cyano-N-[(3R)-1-[3-ethyl-7-(ethylamino)-5-fluoro...)
Affinity DataIC50: 15nMMore data for this Ligand-Target Pair
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 670749BDBM670749(2-cyano-N-[(3R)-1-[3-ethyl-7-(ethylamino)-5-fluoro...)
Affinity DataIC50: 15nMAssay Description:The inhibitory potency of compounds of PDHK1 activity was determined in an enzymatic assay. Pyruvate dehydrogenase complex (PDHc) is an enzyme that c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2024
Entry Details
US Patent

Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial(Human)
China Innovation Center of Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 670749BDBM670749(2-cyano-N-[(3R)-1-[3-ethyl-7-(ethylamino)-5-fluoro...)
Affinity DataIC50: 81nMMore data for this Ligand-Target Pair
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 670749BDBM670749(2-cyano-N-[(3R)-1-[3-ethyl-7-(ethylamino)-5-fluoro...)
Affinity DataIC50: 940nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details PubMed