Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM19455'   

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))	BDBM19455 (4-(3-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-5,7-bis(...) Show SMILES Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(OCCN2CCCCC2)cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H24F6N4O2/c28-26(29,30)21-16-22(27(31,32)33)37-25(34-21)23(24(35-37)18-4-8-19(38)9-5-18)17-6-10-20(11-7-17)39-15-14-36-12-2-1-3-13-36/h4-11,16,38H,1-3,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	-42.6	n/a	n/a	90	n/a	n/a	7.5	0
University of Illinois at Urbana					Assay Description Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ...				J Med Chem 50: 399-403 (2007) Article DOI: 10.1021/jm061035y BindingDB Entry DOI: 10.7270/Q2QZ288F
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