Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50354950'   

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))	BDBM50354950 (CHEMBL1836900) Show SMILES Oc1ccc(cc1)N(CCC(F)(F)F)S(=O)(=O)c1ccc(O)cc1 Show InChI InChI=1S/C15H14F3NO4S/c16-15(17,18)9-10-19(11-1-3-12(20)4-2-11)24(22,23)14-7-5-13(21)6-8-14/h1-8,20-21H,9-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay				Bioorg Med Chem Lett 21: 5680-3 (2011) Article DOI: 10.1016/j.bmcl.2011.08.041 BindingDB Entry DOI: 10.7270/Q2JS9QTC
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