Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50141172'   

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))	BDBM50141172 ((2S,3S)-7-Hydroxy-3-(4-hydroxy-phenyl)-2-[4-(2-pip...) Show SMILES CCCc1cc(O)cc2O[C@@H]([C@@H](C(=O)c12)c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C31H35NO5/c1-2-6-23-19-25(34)20-27-28(23)30(35)29(21-7-11-24(33)12-8-21)31(37-27)22-9-13-26(14-10-22)36-18-17-32-15-4-3-5-16-32/h7-14,19-20,29,31,33-34H,2-6,15-18H2,1H3/t29-,31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	207	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human estrogen receptor beta (ER beta) in competitive binding assay				Bioorg Med Chem Lett 14: 1417-21 (2004) Article DOI: 10.1016/j.bmcl.2004.01.031 BindingDB Entry DOI: 10.7270/Q28G8K4S
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