Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM269447'   

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))	BDBM269447 ((E)-2-(2- isopropylphenyl)-3-(4- (2-(5-methyl-1,3,...) Show SMILES CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2nnc(C)o2)cc1 Show InChI InChI=1S/C28H24N2O3S/c1-17(2)22-6-4-5-7-23(22)28-27(24-14-11-20(31)16-25(24)34-28)33-21-12-8-19(9-13-21)10-15-26-30-29-18(3)32-26/h4-17,31H,1-3H3/b15-10+	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))	BDBM269447 ((E)-2-(2- isopropylphenyl)-3-(4- (2-(5-methyl-1,3,...) Show SMILES CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2nnc(C)o2)cc1 Show InChI InChI=1S/C28H24N2O3S/c1-17(2)22-6-4-5-7-23(22)28-27(24-14-11-20(31)16-25(24)34-28)33-21-12-8-19(9-13-21)10-15-26-30-29-18(3)32-26/h4-17,31H,1-3H3/b15-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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