Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50161706'   

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))	BDBM50161706 ((4-{4-[6-Hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thio...) Show SMILES Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C33H28N2O4S/c1-21-3-2-4-24(19-21)33(39)35-17-15-34(16-18-35)25-9-5-22(6-10-25)31(38)30-28-14-13-27(37)20-29(28)40-32(30)23-7-11-26(36)12-8-23/h2-14,19-20,36-37H,15-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]-17beta-estradiol from ERalpha				Eur J Med Chem 51: 17-34 (2012) Article DOI: 10.1016/j.ejmech.2012.02.021 BindingDB Entry DOI: 10.7270/Q2ZP474D
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50161706 ((4-{4-[6-Hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thio...) Show SMILES Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C33H28N2O4S/c1-21-3-2-4-24(19-21)33(39)35-17-15-34(16-18-35)25-9-5-22(6-10-25)31(38)30-28-14-13-27(37)20-29(28)40-32(30)23-7-11-26(36)12-8-23/h2-14,19-20,36-37H,15-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1505-7 (2005) Article DOI: 10.1016/j.bmcl.2004.12.074 BindingDB Entry DOI: 10.7270/Q2D21X4C
					More data for this Ligand-Target Pair