Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50211113'   

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))	BDBM50211113 ((1R,2S,5S,6S,9S,10R,14R)-6-hydroxy-5-methylpentacy...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O2/c1-19-9-7-16-12(14(19)4-5-18(19)22)2-3-15-13-6-10-20(15,16)11-8-17(13)21/h3,12-14,16,18,22H,2,4-11H2,1H3/t12-,13+,14-,16-,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211113 ((1R,2S,5S,6S,9S,10R,14R)-6-hydroxy-5-methylpentacy...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H28O2/c1-19-9-7-16-12(14(19)4-5-18(19)22)2-3-15-13-6-10-20(15,16)11-8-17(13)21/h3,12-14,16,18,22H,2,4-11H2,1H3/t12-,13+,14-,16-,18-,19-,20-/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	407	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant ERalpha expressed in HEK293 cells by transactivation assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair