BDBM254833 US9487554, 20

SMILES CC(C)(CNC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cncnc3)=CC[C@@H]12)C(=O)O

InChI Key InChIKey=MBPITEHMWPEJGQ-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 254833   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 254833BDBM254833(US9487554, 20)
Affinity DataIC50: 45.5nMpH: 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 254833BDBM254833(US9487554, 20)
Affinity DataIC50: 46.3nMpH: 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