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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor [Y537S]' and Ligand = 'BDBM443441'   
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 [Y537S]


(Homo sapiens (Human))
BDBM443441
PNG
(US10654866, Example 8 | US11117902, Example 8 | US...)
Show SMILES Cc1cccc-2c1OC(c1ccc(OCCN3CC(CF)C3)cc1)c1c-2cnc2cc(O)ccc12
Show InChI InChI=1S/C29H27FN2O3/c1-18-3-2-4-23-25-15-31-26-13-21(33)7-10-24(26)27(25)29(35-28(18)23)20-5-8-22(9-6-20)34-12-11-32-16-19(14-30)17-32/h2-10,13,15,19,29,33H,11-12,14,16-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
11.4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Run the competition binding assay in a buffer containing 50 mM HEPES, pH 7.5, 1.5 mM EDTA, 150 mM NaCl, 10% glycerol, 1 mg/mL ovalbumin, and 5 mM DTT...


US Patent US10654866 (2020)


BindingDB Entry DOI: 10.7270/Q2D50R05
More data for this
Ligand-Target Pair
Estrogen receptor [Y537S]


(Homo sapiens (Human))
BDBM443441
PNG
(US10654866, Example 8 | US11117902, Example 8 | US...)
Show SMILES Cc1cccc-2c1OC(c1ccc(OCCN3CC(CF)C3)cc1)c1c-2cnc2cc(O)ccc12
Show InChI InChI=1S/C29H27FN2O3/c1-18-3-2-4-23-25-15-31-26-13-21(33)7-10-24(26)27(25)29(35-28(18)23)20-5-8-22(9-6-20)34-12-11-32-16-19(14-30)17-32/h2-10,13,15,19,29,33H,11-12,14,16-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
11.4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2FKJ
More data for this
Ligand-Target Pair
Estrogen receptor [Y537S]


(Homo sapiens (Human))
BDBM443441
PNG
(US10654866, Example 8 | US11117902, Example 8 | US...)
Show SMILES Cc1cccc-2c1OC(c1ccc(OCCN3CC(CF)C3)cc1)c1c-2cnc2cc(O)ccc12
Show InChI InChI=1S/C29H27FN2O3/c1-18-3-2-4-23-25-15-31-26-13-21(33)7-10-24(26)27(25)29(35-28(18)23)20-5-8-22(9-6-20)34-12-11-32-16-19(14-30)17-32/h2-10,13,15,19,29,33H,11-12,14,16-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
11.4n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the following ER competition binding assays is to determine the affinity of a test compound against ERα (wild type), ERα (Y5...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22B926M
More data for this
Ligand-Target Pair