Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50079492'   

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 (Homo sapiens (Human))	BDBM50079492 (CHEMBL104416 | {4-[(E)-1-(3-Hydroxy-phenyl)-2-phen...) Show SMILES CC\C(=C(\c1ccc(OCC(O)=O)cc1)c1cccc(O)c1)c1ccccc1 Show InChI InChI=1S/C24H22O4/c1-2-22(17-7-4-3-5-8-17)24(19-9-6-10-20(25)15-19)18-11-13-21(14-12-18)28-16-23(26)27/h3-15,25H,2,16H2,1H3,(H,26,27)/b24-22+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]-17-beta-estradiol from human estrogen receptor alpha				J Med Chem 42: 3126-33 (1999) Article DOI: 10.1021/jm990078u BindingDB Entry DOI: 10.7270/Q2QZ296Z
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