BDBM41654 4,8-dimethyl-7-oxidanyl-6-propanoyl-chromen-2-one::7-hydroxy-4,8-dimethyl-6-(1-oxopropyl)-1-benzopyran-2-one::7-hydroxy-4,8-dimethyl-6-propanoylchromen-2-one::7-hydroxy-4,8-dimethyl-6-propionyl-2H-chromen-2-one::7-hydroxy-4,8-dimethyl-6-propionyl-coumarin::MLS000089933::SMR000024551::cid_5292521

SMILES CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1O

InChI Key InChIKey=YPTSTYVADCNXPE-UHFFFAOYSA-N

Data  3 IC50

  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 = 41654   

TargetUbiquitin-conjugating enzyme E2 N(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 41654BDBM41654(7-hydroxy-4,8-dimethyl-6-propionyl-2H-chromen-2-on...)
Affinity DataIC50: 1.05E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetBcl-2-related protein A1(Mouse)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 41654BDBM41654(7-hydroxy-4,8-dimethyl-6-propionyl-2H-chromen-2-on...)
Affinity DataIC50: 2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 41654BDBM41654(7-hydroxy-4,8-dimethyl-6-propionyl-2H-chromen-2-on...)
Affinity DataIC50: 2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay