BDBM50571965 CHEMBL4870403

SMILES CCCc1c(c2cnc(nc2[nH]1)C)Br

InChI Key InChIKey=YMPZAUCKCQGIBE-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50571965   

Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Human)
Japan Tobacco

Curated by ChEMBL

LigandBDBM50571965(CHEMBL4870403)Copy SMILESCopy InChI

Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of human PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrate preincubated with enzyme complex for 45...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/21/2022
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial(Human)
Japan Tobacco

Curated by ChEMBL

LigandBDBM50571965(CHEMBL4870403)Copy SMILESCopy InChI

Affinity DataIC50: 1.24E+4nMAssay Description:Inhibition of human PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrate preincubated with enzyme complex for 45...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/21/2022
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL