Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50104325'   

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))	BDBM50104325 (4-[5-(4-hydroxy-phenyl)-4-ethyl-3-(4-methoxy-pheny...) Show SMILES CCc1c(oc(c1-c1ccc(OC)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C25H22O4/c1-3-22-23(16-8-14-21(28-2)15-9-16)25(18-6-12-20(27)13-7-18)29-24(22)17-4-10-19(26)11-5-17/h4-15,26-27H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from Estrogen receptor beta				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
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