BDBM254839 US9487554, 26

SMILES CN(CCC(O)=O)C(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H]([C@@H](O)C=C4c4cncc(F)c4)[C@@H]3CCc2c1

InChI Key InChIKey=RUJGRTKZCHYKHB-QEMLBQPESA-N

Data  2 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 2 hits for monomerid = 254839   

TargetAldo-keto reductase family 1 member C3/Glutathione S-transferase P(Homo sapiens (Human))
Bayer Intellectual Property

US Patent
LigandPNGBDBM254839(US9487554, 26)
Affinity DataIC50:  16.6nMpH: 7.0Assay Description:Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAldo-keto reductase family 1 member C3/Glutathione S-transferase P(Homo sapiens (Human))
Bayer Intellectual Property

US Patent
LigandPNGBDBM254839(US9487554, 26)
Affinity DataIC50:  11nMpH: 7.0Assay Description:Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent