Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM269440'   

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 (Homo sapiens (Human))	BDBM269440 ((E)-3-(4-((2-(5-fluoro- 2- (trifluoromethyl) pheny...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2cc(F)ccc2C(F)(F)F)cc1 Show InChI InChI=1S/C24H14F4O4S/c25-14-4-9-19(24(26,27)28)18(11-14)23-22(17-8-5-15(29)12-20(17)33-23)32-16-6-1-13(2-7-16)3-10-21(30)31/h1-12,29H,(H,30,31)/b10-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM269440 ((E)-3-(4-((2-(5-fluoro- 2- (trifluoromethyl) pheny...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2cc(F)ccc2C(F)(F)F)cc1 Show InChI InChI=1S/C24H14F4O4S/c25-14-4-9-19(24(26,27)28)18(11-14)23-22(17-8-5-15(29)12-20(17)33-23)32-16-6-1-13(2-7-16)3-10-21(30)31/h1-12,29H,(H,30,31)/b10-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	109	n/a	n/a	n/a	n/a	5.1	37
Novartis AG US Patent					Assay Description The ER transcription assay is a reporter assay that is based on the ability of ER to induce transcription from a luciferase reporter gene containing ...				US Patent US10058534 (2018) BindingDB Entry DOI: 10.7270/Q2M32XSG
					More data for this Ligand-Target Pair