Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor [Y537S]' and Ligand = 'BDBM443435'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Estrogen receptor [Y537S] (Homo sapiens (Human))	BDBM443435 (US10654866, Example 3 | US10654866, Example 3A | U...) Show SMILES Oc1ccc2c3C(Oc4cc(Cl)ccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H24ClFN2O3/c29-19-3-7-22-24-14-31-25-12-20(33)4-8-23(25)27(24)28(35-26(22)11-19)18-1-5-21(6-2-18)34-10-9-32-15-17(13-30)16-32/h1-8,11-12,14,17,28,33H,9-10,13,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM443435 (US10654866, Example 3 | US10654866, Example 3A | U...) Show SMILES Oc1ccc2c3C(Oc4cc(Cl)ccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H24ClFN2O3/c29-19-3-7-22-24-14-31-25-12-20(33)4-8-23(25)27(24)28(35-26(22)11-19)18-1-5-21(6-2-18)34-10-9-32-15-17(13-30)16-32/h1-8,11-12,14,17,28,33H,9-10,13,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		6.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2JM2FKJ
					More data for this Ligand-Target Pair
Estrogen receptor [Y537S] (Homo sapiens (Human))	BDBM443435 (US10654866, Example 3 | US10654866, Example 3A | U...) Show SMILES Oc1ccc2c3C(Oc4cc(Cl)ccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H24ClFN2O3/c29-19-3-7-22-24-14-31-25-12-20(33)4-8-23(25)27(24)28(35-26(22)11-19)18-1-5-21(6-2-18)34-10-9-32-15-17(13-30)16-32/h1-8,11-12,14,17,28,33H,9-10,13,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Estrogen receptor [Y537S] (Homo sapiens (Human))	BDBM443435 (US10654866, Example 3 | US10654866, Example 3A | U...) Show SMILES Oc1ccc2c3C(Oc4cc(Cl)ccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H24ClFN2O3/c29-19-3-7-22-24-14-31-25-12-20(33)4-8-23(25)27(24)28(35-26(22)11-19)18-1-5-21(6-2-18)34-10-9-32-15-17(13-30)16-32/h1-8,11-12,14,17,28,33H,9-10,13,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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