Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50174927'   

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))	BDBM50174927 ((R)-1-(4-(2-(3-methylpyrrolidin-1-yl)ethoxy)benzyl...) Show SMILES C[C@@H]1CCN(CCOc2ccc(Cn3c(c(C)c4cc(O)ccc34)-c3ccc(O)cc3)cc2)C1 Show InChI InChI=1S/C29H32N2O3/c1-20-13-14-30(18-20)15-16-34-26-10-3-22(4-11-26)19-31-28-12-9-25(33)17-27(28)21(2)29(31)23-5-7-24(32)8-6-23/h3-12,17,20,32-33H,13-16,18-19H2,1-2H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to recombinant human ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 15: 5124-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.084 BindingDB Entry DOI: 10.7270/Q2BZ65MS
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