BDBM368199 (S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol::US10227334, Example 3

SMILES CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1

InChI Key InChIKey=KJAAPZIFCQQQKX-NDEPHWFRSA-N

Data  16 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 368199   

TargetEstrogen receptor(Homo sapiens (Human))
Genentech

US Patent
LigandPNGBDBM368199((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Affinity DataIC50:  0.0700nMAssay 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
TargetEstrogen receptor(Homo sapiens (Human))
Genentech

US Patent
LigandPNGBDBM368199((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Affinity DataIC50:  0.100nMAssay Description:Degradation of ER alpha in human MCF7 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Seragon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM368199((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Affinity DataIC50:  390nMAssay Description:Inhibition of dopamine transporter (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Seragon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM368199((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Affinity DataIC50: >1.00E+4nMAssay Description:Competitive inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Seragon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM368199((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Seragon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM368199((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Affinity DataIC50:  3.20E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Seragon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM368199((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Affinity DataIC50: >1.00E+4nMAssay Description:Competitive inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Seragon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM368199((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Affinity DataIC50: >1.00E+4nMAssay Description:Competitive inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Genentech

US Patent
LigandPNGBDBM368199((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Affinity DataIC50:  0.100nMAssay Description:Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assayMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Seragon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM368199((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Affinity DataIC50: >1.00E+4nMAssay Description:Competitive inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Seragon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM368199((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Affinity DataIC50:  4.60E+3nMAssay Description:Inhibition of human ERG by patch clamp methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Genentech

US Patent
LigandPNGBDBM368199((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Affinity DataIC50:  0.0300nMAssay Description:Induction of ERalpha degradation in human MCF7 cells after 4 hrs by Alexafluor-488 conjugate anti-mouse IgG antibody/Hoechst 33342 staining based imm...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Genentech

US Patent
LigandPNGBDBM368199((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Affinity DataIC50:  0.0300nMAssay Description:Induction of ERalpha degradation in human MCF7 cells after 4 hrs by FITC/Hoechst staining based immunofluorescence imaging analysisMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Genentech

US Patent
LigandPNGBDBM368199((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Affinity DataIC50:  0.380nMAssay Description:Induction of ERalpha degradation in human T47D cellsMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Genentech

US Patent
LigandPNGBDBM368199((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Affinity DataIC50:  0.100nMAssay Description:Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assayMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Genentech

US Patent
LigandPNGBDBM368199((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)
Affinity DataIC50:  0.0300nMAssay Description:Induction of ERalpha degradation in human MCF7 cells after 4 hrs by FITC/Hoechst 33342 staining based immunofluorescence imaging analysisMore data for this Ligand-Target Pair