Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50253391'   

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))	BDBM50253391 (CHEMBL495326 | N4-methyl-N2,N4-diisobutyl-6-[(2-na...) Show SMILES CC(C)CNc1nc(CCc2cccc3ccccc23)cc(n1)N(C)CC(C)C Show InChI InChI=1S/C25H34N4/c1-18(2)16-26-25-27-22(15-24(28-25)29(5)17-19(3)4)14-13-21-11-8-10-20-9-6-7-12-23(20)21/h6-12,15,18-19H,13-14,16-17H2,1-5H3,(H,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))	BDBM50253391 (CHEMBL495326 | N4-methyl-N2,N4-diisobutyl-6-[(2-na...) Show SMILES CC(C)CNc1nc(CCc2cccc3ccccc23)cc(n1)N(C)CC(C)C Show InChI InChI=1S/C25H34N4/c1-18(2)16-26-25-27-22(15-24(28-25)29(5)17-19(3)4)14-13-21-11-8-10-20-9-6-7-12-23(20)21/h6-12,15,18-19H,13-14,16-17H2,1-5H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+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