Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor [Y537S]' and Ligand = 'BDBM443448'   

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))	BDBM443448 (US10654866, Example 6B | US11117902, Example 6A | ...) Show SMILES Oc1ccc2c3[C@@H](Oc4c(F)cccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r| Show InChI InChI=1S/C28H24F2N2O3/c29-13-17-15-32(16-17)10-11-34-20-7-4-18(5-8-20)27-26-22-9-6-19(33)12-25(22)31-14-23(26)21-2-1-3-24(30)28(21)35-27/h1-9,12,14,17,27,33H,10-11,13,15-16H2/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.71	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))	BDBM443448 (US10654866, Example 6B | US11117902, Example 6A | ...) Show SMILES Oc1ccc2c3[C@@H](Oc4c(F)cccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r| Show InChI InChI=1S/C28H24F2N2O3/c29-13-17-15-32(16-17)10-11-34-20-7-4-18(5-8-20)27-26-22-9-6-19(33)12-25(22)31-14-23(26)21-2-1-3-24(30)28(21)35-27/h1-9,12,14,17,27,33H,10-11,13,15-16H2/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		5.71	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))	BDBM443448 (US10654866, Example 6B | US11117902, Example 6A | ...) Show SMILES Oc1ccc2c3[C@@H](Oc4c(F)cccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r| Show InChI InChI=1S/C28H24F2N2O3/c29-13-17-15-32(16-17)10-11-34-20-7-4-18(5-8-20)27-26-22-9-6-19(33)12-25(22)31-14-23(26)21-2-1-3-24(30)28(21)35-27/h1-9,12,14,17,27,33H,10-11,13,15-16H2/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	46	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