Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50178331'   

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))	BDBM50178331 ((3S,10S,13S,17S,Z)-10-(but-1-enyl)-13-methyl-2,3,4...) Show SMILES CC\C=C/[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:11| Show InChI InChI=1S/C22H34O2/c1-3-4-11-22-13-9-16(23)14-15(22)5-6-17-18-7-8-20(24)21(18,2)12-10-19(17)22/h4-5,11,16-20,23-24H,3,6-10,12-14H2,1-2H3/b11-4-/t16-,17?,18?,19?,20-,21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	361	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50178331 ((3S,10S,13S,17S,Z)-10-(but-1-enyl)-13-methyl-2,3,4...) Show SMILES CC\C=C/[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:11| Show InChI InChI=1S/C22H34O2/c1-3-4-11-22-13-9-16(23)14-15(22)5-6-17-18-7-8-20(24)21(18,2)12-10-19(17)22/h4-5,11,16-20,23-24H,3,6-10,12-14H2,1-2H3/b11-4-/t16-,17?,18?,19?,20-,21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	252	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effect on transactivation of ALP gene expression in HEK293 cells transfected with hERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
					More data for this Ligand-Target Pair