Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50275918'   

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))	BDBM50275918 (4-(4-Hydroxyphenyl)-5-[4-(2-pyrrolidin-1-yl-ethoxy...) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(OCCN3CCCC3)cc2)c2ccc(O)cc2OCC1 |c:8| Show InChI InChI=1S/C28H29NO4/c30-22-7-3-20(4-8-22)25-13-17-33-27-19-23(31)9-12-26(27)28(25)21-5-10-24(11-6-21)32-18-16-29-14-1-2-15-29/h3-12,19,30-31H,1-2,13-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein labeled estradiol from human recombinant ERalpha expressed in baculovirus infected insect cells by fluorescence polarizat...				Bioorg Med Chem 16: 9554-73 (2008) Article DOI: 10.1016/j.bmc.2008.09.035 BindingDB Entry DOI: 10.7270/Q2MW2GZ8
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