Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50253442'   

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))	BDBM50253442 (CHEMBL494698 | N2-Isobutyl-6-(3-methyl-butyl)-N4-n...) Show SMILES CC(C)CCc1cc(NCc2cccc3ccccc23)nc(NCC(C)C)n1 Show InChI InChI=1S/C24H32N4/c1-17(2)12-13-21-14-23(28-24(27-21)26-15-18(3)4)25-16-20-10-7-9-19-8-5-6-11-22(19)20/h5-11,14,17-18H,12-13,15-16H2,1-4H3,(H2,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity to ERalpha (unknown origin) assessed as inhibition of fluorescein-labeled nuclear receptor domain of steroid receptor coactivator 3 ...				J Med Chem 51: 6512-30 (2008) Article DOI: 10.1021/jm800698b BindingDB Entry DOI: 10.7270/Q2KD1XRF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50253442 (CHEMBL494698 | N2-Isobutyl-6-(3-methyl-butyl)-N4-n...) Show SMILES CC(C)CCc1cc(NCc2cccc3ccccc23)nc(NCC(C)C)n1 Show InChI InChI=1S/C24H32N4/c1-17(2)12-13-21-14-23(28-24(27-21)26-15-18(3)4)25-16-20-10-7-9-19-8-5-6-11-22(19)20/h5-11,14,17-18H,12-13,15-16H2,1-4H3,(H2,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human HEC1 cells assessed as inhibition of estrogen-induced transcriptional activity after 24 hrs by reporter gene ...				J Med Chem 51: 6512-30 (2008) Article DOI: 10.1021/jm800698b BindingDB Entry DOI: 10.7270/Q2KD1XRF
					More data for this Ligand-Target Pair