BDBM254815 US9487554, 2

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

InChI Key InChIKey=JFRWOHRGXFCADF-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 254815   

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

US Patent
LigandPNGBDBM254815(US9487554, 2)
Affinity DataIC50: 1.30nMpH: 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 DepthDetails
US Patent

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

US Patent
LigandPNGBDBM254815(US9487554, 2)
Affinity DataIC50: 1.40nMpH: 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 DepthDetails
US Patent

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Bayer Intellectual Property

US Patent
LigandPNGBDBM254815(US9487554, 2)
Affinity DataIC50: 2.00E+5nMpH: 7.4Assay Description:The inhibition of CYP17A1 by the test compounds was evaluated using a recombinant enzyme. Human CYP17A1 was expressed in E. coli (Ehmer, P. B. et al....More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetAldo-keto reductase family 1 member C3(Human)
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM254815(US9487554, 2)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of AKR1C3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed