null

SMILES C1CCc2nc(SSc3nc4CCCCCc4s3)sc2CC1

InChI Key InChIKey=NXLFLCFGMLFSHH-UHFFFAOYSA-N

  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 = 50237412   

Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50237412(CHEMBL4090859)copy SMILEScopy InChI
Affinity DataKi:  1.80E+3nMAssay Description:Inhibition of full length His6-tagged PDK1 (unknown origin) expressed in Escherichia coli using full length His6-tagged PDHA1 as substrate after 30 m...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RN3B3MPubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50237412(CHEMBL4090859)copy SMILEScopy InChI
Affinity DataIC50: 39nMAssay Description:Inhibition of full length His6-tagged PDK1 (unknown origin) expressed in Escherichia coli using full length His6-tagged PDHA1 as substrate after 30 m...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RN3B3MPubMed