Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50276004'   

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))	BDBM50276004 (4-{8-Fluoro-5-[4-(2-piperidin-1-yl-ethoxy)-phenyl]...) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(OCCN3CCCCC3)cc2)c2ccc(F)cc2OCC1 |c:8| Show InChI InChI=1S/C29H30FNO3/c30-23-8-13-27-28(20-23)34-18-14-26(21-4-9-24(32)10-5-21)29(27)22-6-11-25(12-7-22)33-19-17-31-15-2-1-3-16-31/h4-13,20,32H,1-3,14-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	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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