BDBM521337 4-(4-chloro-3- fluoro-phenyl)- 5-[4-[(3S)-1-(3- fluoropropyl)pyr- rolidin-3- yl]oxyphenyl]- 2,3-dihydro-1- benzothiepin-8- ol::US11149031, Example 161

SMILES Oc1ccc2c(c1)SCCC(c1ccc(Cl)c(F)c1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1

InChI Key InChIKey=PNXKCCOBDPJGFO-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 521337   

TargetEstrogen receptor [298-554](Human)
Sanofi

US Patent
LigandChemical structure of BindingDB Monomer ID 521337BDBM521337(4-(4-chloro-3- fluoro-phenyl)- 5-[4-[(3S)-1-(3- fl...)
Affinity DataIC50: 6nMAssay Description:Antagonistic potency of compounds was evaluated using LanthaScreen TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/13/2022
Entry Details
US Patent

TargetEstrogen receptor [298-554,Y537S](Human)
Sanofi

US Patent
LigandChemical structure of BindingDB Monomer ID 521337BDBM521337(4-(4-chloro-3- fluoro-phenyl)- 5-[4-[(3S)-1-(3- fl...)
Affinity DataIC50: 22nMAssay Description:Antagonistic potency of compounds was evaluated using LanthaScreen TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/13/2022
Entry Details
US Patent

TargetEstrogen receptor [298-554,D538G](Human)
Sanofi

US Patent
LigandChemical structure of BindingDB Monomer ID 521337BDBM521337(4-(4-chloro-3- fluoro-phenyl)- 5-[4-[(3S)-1-(3- fl...)
Affinity DataIC50: 31nMAssay Description:Antagonistic potency of compounds was evaluated using LanthaScreen TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/13/2022
Entry Details
US Patent