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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor [307-554]' and Ligand = 'BDBM300996'   
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 [307-554]


(Homo sapiens (Human))
BDBM300996
PNG
(2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(6- fluoro-5-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r|
PDB

UniProtKB/SwissProt

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



AstraZeneca AB

US Patent


Assay Description
The assay was performed as follows with all reagent additions carried out using the Beckman Coulter BioRAPTR FRD microfluidic workstation:1. Acoustic...


US Patent US10961241 (2021)


BindingDB Entry DOI: 10.7270/Q2BR8W8P
More data for this
Ligand-Target Pair
Estrogen receptor [307-554]


(Homo sapiens (Human))
BDBM300996
PNG
(2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(6- fluoro-5-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
ER: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition assay...


US Patent US10590130 (2020)


BindingDB Entry DOI: 10.7270/Q28S4SX5
More data for this
Ligand-Target Pair