BDBM29212 casimiroin analogue, 1a

SMILES CC1=CC(=O)Nc2c1ccc3c2OCO3

InChI Key InChIKey=XCKXJOHJSMHNFE-UHFFFAOYSA-N

Data  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 2 hits for monomerid = 29212   

LigandPNGBDBM29212(casimiroin analogue, 1a)
Affinity DataIC50: 1.08E+4nMpH: 7.5 T: 2°CAssay Description:The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAromatase(Human)
Purdue University

LigandPNGBDBM29212(casimiroin analogue, 1a)
Affinity DataIC50: 9.85E+4nMAssay Description:The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2009
Entry Details Article
PubMed