BDBM29219 casimiroin analogue, 1h

SMILES CC1=CC(=O)N(c2c1ccc(c2OC)OC)C

InChI Key InChIKey=DHJBSOKLGMWDBA-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 = 29219   

LigandPNGBDBM29219(casimiroin analogue, 1h)
Affinity DataIC50: 9.30E+3nMpH: 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

LigandPNGBDBM29219(casimiroin analogue, 1h)
Affinity DataIC50: 5.76E+3nMAssay 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