BDBM50388906 CHEMBL2063256

SMILES CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O

InChI Key InChIKey=IEFKPWNGVIDYEA-UHFFFAOYSA-N

Data  1 KI  2 IC50

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 3 hits for monomerid = 50388906   

Target4,4'-diapophytoene synthase(Staphylococcus aureus)
TBA

Curated by ChEMBL
LigandPNGBDBM50388906(CHEMBL2063256)
Affinity DataIC50: 4.53E+4nMAssay Description:Inhibition of Staphylococcus aureus His6-tagged CrtM expressed in Escherichia coli BL21(DE3) using Farnesyl pyrophosphate as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target4,4'-diapophytoene synthase(Staphylococcus aureus)
TBA

Curated by ChEMBL
LigandPNGBDBM50388906(CHEMBL2063256)
Affinity DataIC50: 3.30E+4nMAssay Description:Inhibition of Staphylococcus aureus isolate WT CrtM-mediated staphyloxanthin synthesis after 72 hrs by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target4,4'-diapophytoene synthase(Staphylococcus aureus)
TBA

Curated by ChEMBL
LigandPNGBDBM50388906(CHEMBL2063256)
Affinity DataKi:  450nMAssay Description:Inhibition of Staphylococcus aureus His6-tagged CrtM expressed in Escherichia coli BL21(DE3) using Farnesyl pyrophosphate as substrate incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)