Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50161712'   

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))	BDBM50161712 ((4-Chloro-phenyl)-(4-{4-[6-hydroxy-2-(4-hydroxy-ph...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H25ClN2O4S/c33-23-7-1-22(2-8-23)32(39)35-17-15-34(16-18-35)24-9-3-20(4-10-24)30(38)29-27-14-13-26(37)19-28(27)40-31(29)21-5-11-25(36)12-6-21/h1-14,19,36-37H,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.220	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))	BDBM50161712 ((4-Chloro-phenyl)-(4-{4-[6-hydroxy-2-(4-hydroxy-ph...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H25ClN2O4S/c33-23-7-1-22(2-8-23)32(39)35-17-15-34(16-18-35)24-9-3-20(4-10-24)30(38)29-27-14-13-26(37)19-28(27)40-31(29)21-5-11-25(36)12-6-21/h1-14,19,36-37H,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.780	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