Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50161715'   

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))	BDBM50161715 (CHEMBL179518 | [6-Hydroxy-2-(4-hydroxy-phenyl)-ben...) Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C28H28N2O3S/c1-2-13-29-14-16-30(17-15-29)21-7-3-19(4-8-21)27(33)26-24-12-11-23(32)18-25(24)34-28(26)20-5-9-22(31)10-6-20/h3-12,18,31-32H,2,13-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43	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
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