BDBM50169743 (13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol::(7R,13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol::(7R,13S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol::(7R,8R,9S,13S,14S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol::(7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentyldihydrosulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol::(7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol::13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol::CHEMBL1358::FULVESTRANT::Faslodex::Fluvestrant::ICI-182780::US10227334, Fulvestrant::US20240043442, Example Fulvestrant::US20240131013, Compound Fulvestrant::ZD-9238

SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31

InChI Key InChIKey=VWUXBMIQPBEWFH-WCCTWKNTSA-N

Data  3 KI  25 IC50  2 EC50

  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 30 hits for monomerid = 50169743   

TargetEstrogen receptor(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataKi:  1.04nMAssay Description:In vitro displacement of 0.5 nM [3H]17-beta-estradiol from human Estrogen receptor alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataKi:  1.39nMAssay Description:In vitro displacement of 0.5 nM [3H]17-beta-estradiol from human Estrogen receptor betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional epoxide hydrolase 2(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataKi:  26nMAssay Description:Competitive inhibition of human recombinant soluble epoxide hydrolase using [3H]-tDPPO as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataEC50:  0.400nMAssay Description:Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProgesterone receptor(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  0.209nMAssay Description:Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor responseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProgesterone receptor(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50: <1.00E+5nMAssay Description:Agonist activity at progesterone receptor in human MCF7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  0.0631nMAssay Description:Antagonist activity at ERalpha receptor in human MCF7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  0.813nMAssay Description:Binding affinity to ERalpha receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  7nMAssay Description:Displacement of [3H]17-beta-estradiol from human Estrogen receptor betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  0.470nMAssay Description:Antagonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  44.1nMAssay Description:Binding affinity to human ERbetaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  4.90nMAssay Description:Binding affinity to human ERalphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Rat)
University of Melbourne

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  5.89nMAssay Description:Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional epoxide hydrolase 2(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  6nMAssay Description:Inhibition of human recombinant soluble epoxide hydrolase using (cyano(6-methoxy-naphthelen-2-yl)methyl trans-[(3-phenyl-oxiran-2-yl)methyl] carbonat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataEC50:  1.95E+3nMAssay Description:Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase re...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  790nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid hormone receptor ERR1(Human)
University of Kansas Medical Center

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  2nMAssay Description:Antagonist activity at ERalpha receptor in human MCF7 cells assessed as inhibition of cell growth after 6 days by crystal violet staining methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  4nMAssay Description:Antagonist activity at estrogen receptor alpha ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  3.80nMAssay Description:Antagonist activity at estrogen receptor beta ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luci...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  6nMAssay Description:Agonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  3.40nMAssay Description:Antagonist activity at ERalpha in human MCF7 cells assessed as inhibition of estrogen-induced transcription preincubated overnight followed by estrog...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  1nMAssay Description:Inhibition of recombinant Cyclin-dependent kinase 1-cyclin BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  1.20nMAssay Description:Induction of ERalpha degradation in human MCF7 cells after 18 hrs by Western blot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  0.0600nMAssay Description:Induction of ERalpha degradation in human MCF7 cells assessed as inhibition of insulin-mediated cell proliferation after 6 days by Hoechst 33258 dye-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  0.570nMAssay Description:MCF-7 cells were adjusted to a concentration of 40,000 cells per mL in RPMI containing 10% FBS and 20 mM HEPES. 16 microliters of the cell suspension...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetSteroid hormone receptor ERR1(Human)
University of Kansas Medical Center

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  2.29nMAssay Description:Compounds were screened for their ability to displace a fluorescent labelled tracer ERα ligand via time resolved fluorescent energy transfer usi...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetEstrogen receptor beta(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  21nMAssay Description:Displacement of [3H]-E2 from estrogen receptor-beta (unknown origin) by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  0.400nMAssay Description:Compound activity was analyzed using celltiter-glo luminescent viability assay (Promega #G7572) in breast cancer cell line MCF-7. Cells grown in log ...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetEstrogen receptor beta(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  8.40nMAssay Description:Inhibition of human estrogen receptor 2 using tritiated estradiol incubated for 3 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Human)
Signalgene

Curated by ChEMBL
LigandPNGBDBM50169743((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Affinity DataIC50:  24nMAssay Description:Displacement of [3H]-E2 from estrogen receptor-alpha (unknown origin) by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed