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](Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O

InChI Key InChIKey=KJAAPZIFCQQQKX-UHFFFAOYSA-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(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
In Depth
Date in BDB:
12/27/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetEstrogen receptor(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
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSodium-dependent dopamine transporter(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 Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(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 Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C8(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 Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(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 Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(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 Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(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 Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetEstrogen receptor(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
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(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 Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(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 Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetEstrogen receptor(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
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEstrogen receptor(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
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEstrogen receptor(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
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEstrogen receptor(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
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEstrogen receptor(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
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMedPDB3D3D Structure (crystal)