BDBM521377 4-(2,2-dimethyl- 3H-benzofuran- 5-yl)-5-[4-[(3S)- 1-(3- fluoropropyl)pyr- rolidin-3- yl]oxyphenyl]- 2,3-dihydro-1- benzothiepin-8- ol::US11149031, Example 201

SMILES CC1(C)Cc2cc(ccc2O1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2SCC1

InChI Key InChIKey=PLWHFPHSRVTLOT-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 521377   

TargetEstrogen receptor [298-554](Human)
Sanofi

US Patent
LigandPNGBDBM521377(4-(2,2-dimethyl- 3H-benzofuran- 5-yl)-5-[4-[(3S)- ...)
Affinity DataIC50: 1nMAssay 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
Go to US Patent

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

US Patent
LigandPNGBDBM521377(4-(2,2-dimethyl- 3H-benzofuran- 5-yl)-5-[4-[(3S)- ...)
Affinity DataIC50: 21nMAssay 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
Go to US Patent

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

US Patent
LigandPNGBDBM521377(4-(2,2-dimethyl- 3H-benzofuran- 5-yl)-5-[4-[(3S)- ...)
Affinity DataIC50: 15nMAssay 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
Go to US Patent