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SMILES: Oc1ccc2c(SCCC(c3ccc4OC(F)(F)Oc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 521369   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor [298-554]


(Homo sapiens (Human))
BDBM521369
PNG
(4-(2,2-difluoro- 1,3- benzodioxol-5- yl)-5-[4-[(3S...)
Show SMILES Oc1ccc2c(SCCC(c3ccc4OC(F)(F)Oc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:22|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Antagonistic potency of compounds was evaluated using LanthaScreenŽ TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BT3
More data for this
Ligand-Target Pair
Estrogen receptor [298-554,Y537S]


(Homo sapiens (Human))
BDBM521369
PNG
(4-(2,2-difluoro- 1,3- benzodioxol-5- yl)-5-[4-[(3S...)
Show SMILES Oc1ccc2c(SCCC(c3ccc4OC(F)(F)Oc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:22|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Antagonistic potency of compounds was evaluated using LanthaScreenŽ TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BT3
More data for this
Ligand-Target Pair
Estrogen receptor [298-554,D538G]


(Homo sapiens (Human))
BDBM521369
PNG
(4-(2,2-difluoro- 1,3- benzodioxol-5- yl)-5-[4-[(3S...)
Show SMILES Oc1ccc2c(SCCC(c3ccc4OC(F)(F)Oc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:22|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Antagonistic potency of compounds was evaluated using LanthaScreenŽ TR-FRET ERα Coactivator Assay (ThermoFisher) with modifications. It is a com...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BT3
More data for this
Ligand-Target Pair