Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50160297'   

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 beta (Homo sapiens (Human))	BDBM50160297 ((3S,4R)-3-Phenyl-4-[4-(2-pyrrolidin-1-yl-ethoxy)-p...) Show SMILES Oc1ccc2[C@H]([C@H](SCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H29NO2S/c29-23-10-13-25-22(18-23)19-31-27(21-6-2-1-3-7-21)26(25)20-8-11-24(12-9-20)30-17-16-28-14-4-5-15-28/h1-3,6-13,18,26-27,29H,4-5,14-17,19H2/t26-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor beta				Bioorg Med Chem Lett 15: 715-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.018 BindingDB Entry DOI: 10.7270/Q28K78KJ
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