Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50203417'   

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))	BDBM50203417 (CHEMBL3914142) Show SMILES C[C@H](NS(=O)(=O)C1CC1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H24FN3O3S/c1-17(28-33(30,31)23-12-13-23)25(18-5-3-2-4-6-18)32-22-11-14-24-19(15-22)16-27-29(24)21-9-7-20(26)8-10-21/h2-11,14-17,23,25,28H,12-13H2,1H3/t17-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERbeta (unknown origin) by FP assay				Bioorg Med Chem Lett 26: 5741-5748 (2016) Article DOI: 10.1016/j.bmcl.2016.10.052 BindingDB Entry DOI: 10.7270/Q2NP26D1
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