Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM19966'   

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))	BDBM19966 (6-(4-methanesulfonylphenyl)-5-{4-[2-(piperidin-1-y...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H31NO5S/c1-37(33,34)27-13-5-22(6-14-27)28-15-7-23-21-24(32)8-16-29(23)30(28)36-26-11-9-25(10-12-26)35-20-19-31-17-3-2-4-18-31/h5-16,21,32H,2-4,17-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERbeta				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
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Estrogen receptor beta (Homo sapiens (Human))	BDBM19966 (6-(4-methanesulfonylphenyl)-5-{4-[2-(piperidin-1-y...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H31NO5S/c1-37(33,34)27-13-5-22(6-14-27)28-15-7-23-21-24(32)8-16-29(23)30(28)36-26-11-9-25(10-12-26)35-20-19-31-17-3-2-4-18-31/h5-16,21,32H,2-4,17-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.36	-50.1	n/a	n/a	10.7	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...				J Med Chem 48: 6772-5 (2005) Article DOI: 10.1021/jm050723z BindingDB Entry DOI: 10.7270/Q2RR1WHW
					More data for this Ligand-Target Pair