Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM19981'   

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 beta (Homo sapiens (Human))	BDBM19981 ((1S,9S,10R)-4-hydroxy-9-(4-hydroxyphenyl)-8-oxatri...) Show SMILES Oc1ccc(cc1)[C@H]1Oc2ccc(O)cc2[C@H]2CCC(=O)C[C@@H]12 |r| Show InChI InChI=1S/C19H18O4/c20-12-3-1-11(2-4-12)19-17-10-13(21)5-7-15(17)16-9-14(22)6-8-18(16)23-19/h1-4,6,8-9,15,17,19-20,22H,5,7,10H2/t15-,17-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	10.2	-45.2	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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