Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50517932'   

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))	BDBM50517932 (CHEMBL4459147) Show SMILES OC[C@]1(O)CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:6.9,2.1,(73.8,-15.59,;73.81,-17.13,;72.48,-17.9,;73.82,-18.67,;71.72,-16.57,;70.17,-16.56,;69.41,-17.9,;70.18,-19.23,;71.71,-19.24,;67.87,-17.9,;67.1,-16.56,;65.56,-16.56,;64.79,-17.89,;63.25,-17.89,;65.57,-19.23,;67.11,-19.22,)| Show InChI InChI=1S/C13H18O3/c14-9-13(16)7-5-11(6-8-13)10-1-3-12(15)4-2-10/h1-4,11,14-16H,5-9H2/t11-,13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
Concordia University Wisconsin Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay				J Med Chem 61: 4720-4738 (2018) Article DOI: 10.1021/acs.jmedchem.7b01601 BindingDB Entry DOI: 10.7270/Q2TH8R3Q
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