BDBM50447292 CHEMBL3113979

SMILES C[C@H]1COCCN1C[C@H]2CN(CCN2c3ccc(cc3)[C@](C)(C(F)(F)F)O)S(=O)(=O)c4cccs4

InChI Key InChIKey=OJTJLEFGCNYTBQ-UHFFFAOYSA-N

Data  1 IC50  3 EC50

PDB links: 1 PDB ID matches this monomer.

  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 4 hits for monomerid = 50447292   

TargetHexokinase-4(Mouse)
Amgen

Curated by ChEMBL
LigandPNGBDBM50447292(CHEMBL3113979)
Affinity DataEC50:  1.79E+3nMAssay Description:Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetGlucokinase regulatory protein(Rat)
Amgen

Curated by ChEMBL
LigandPNGBDBM50447292(CHEMBL3113979)
Affinity DataEC50:  82nMAssay Description:Inhibition of GKRP-GK interaction in rat primary hepatocytes assessed as translocation of GK from nucleus to cytoplasm preincubated for 20 mins follo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHexokinase-4(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50447292(CHEMBL3113979)
Affinity DataEC50: >5.00E+4nMAssay Description:Activation of human glucokinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetGlucokinase regulatory protein(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50447292(CHEMBL3113979)
Affinity DataIC50: 21nMAssay Description:Inhibition of biotin-tagged human GKRP-fluorescein-tagged human GK interaction preincubated for 20 mins followed by fluorescein-tagged human GK addit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)