Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM19456'   

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))	BDBM19456 (4-(3-{4-[2-(dimethylamino)ethoxy]phenyl}-5,7-bis(t...) Show SMILES CN(C)CCOc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccc(O)cc1 Show InChI InChI=1S/C24H20F6N4O2/c1-33(2)11-12-36-17-9-5-14(6-10-17)20-21(15-3-7-16(35)8-4-15)32-34-19(24(28,29)30)13-18(23(25,26)27)31-22(20)34/h3-10,13,35H,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	47	-38.3	n/a	n/a	1.00E+3	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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