BDBM254835 US9487554, 22

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

InChI Key InChIKey=DUZKZLBMTYXAKB-XVTSZCMISA-N

Data  1 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 1 hit for monomerid = 254835   

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

US Patent
LigandPNGBDBM254835(US9487554, 22)
Affinity DataIC50:  4.20nMpH: 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