BDBM254820 US9487554, 7

SMILES CC(C)(NC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cncc(F)c3)=CC[C@@H]12)C(=O)O

InChI Key InChIKey=PJXGHEAYISJVSV-UHFFFAOYSA-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 = 254820   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 254820BDBM254820(US9487554, 7)
Affinity DataIC50: 8.5nMpH: 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
In Depth
Date in BDB:
10/16/2017
Entry Details
US Patent

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

US Patent
LigandChemical structure of BindingDB Monomer ID 254820BDBM254820(US9487554, 7)
Affinity DataIC50: 9.60nMpH: 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
In Depth
Date in BDB:
10/16/2017
Entry Details
US Patent