Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM269457'   

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))	BDBM269457 ((E)-3-(4-((6-hydroxy-2- (2- (trifluoromethoxy)phen...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2OC(F)(F)F)cc1 Show InChI InChI=1S/C24H15F3O5S/c25-24(26,27)32-19-4-2-1-3-17(19)23-22(18-11-8-15(28)13-20(18)33-23)31-16-9-5-14(6-10-16)7-12-21(29)30/h1-13,28H,(H,29,30)/b12-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	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))	BDBM269457 ((E)-3-(4-((6-hydroxy-2- (2- (trifluoromethoxy)phen...) Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2OC(F)(F)F)cc1 Show InChI InChI=1S/C24H15F3O5S/c25-24(26,27)32-19-4-2-1-3-17(19)23-22(18-11-8-15(28)13-20(18)33-23)31-16-9-5-14(6-10-16)7-12-21(29)30/h1-13,28H,(H,29,30)/b12-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	45	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