Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM19979'   

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))	BDBM19979 ((2R,6S,7R)-12-hydroxy-7-(4-hydroxyphenyl)-8-oxatri...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(=O)C[C@H]12 |r| Show InChI InChI=1S/C18H16O4/c19-11-3-1-10(2-4-11)18-16-9-13(21)8-14(16)15-7-12(20)5-6-17(15)22-18/h1-7,14,16,18-20H,8-9H2/t14-,16-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	700	-34.8	n/a	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				Bioorg Med Chem Lett 17: 4824-8 (2007) Article DOI: 10.1016/j.bmcl.2007.06.052 BindingDB Entry DOI: 10.7270/Q2CJ8BRK
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