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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM300955'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM300955
PNG
(N-(4-((6S,8R)-7-(2,2-difluoroethyl)-8-methyl-6,7,8...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0980n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10131663 (2018)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300955
PNG
(N-(4-((6S,8R)-7-(2,2-difluoroethyl)-8-methyl-6,7,8...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300955
PNG
(N-(4-((6S,8R)-7-(2,2-difluoroethyl)-8-methyl-6,7,8...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluormone ES2 green reagent from human GST-tagged ERalpha LBD (282 to 595 residues) expressed in baculovirus infected insect cells in...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300955
PNG
(N-(4-((6S,8R)-7-(2,2-difluoroethyl)-8-methyl-6,7,8...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...


US Patent US10131663 (2018)


BindingDB Entry DOI: 10.7270/Q2P55QJ9
More data for this
Ligand-Target Pair