Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50211103'   

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))	BDBM50211103 ((1R,2S,5S,6S,9S,10R,13S,14R,15S)-5-methylpentacycl...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H]5CCC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O Show InChI InChI=1S/C21H34O2/c1-20-11-8-17-13(15(20)6-7-19(20)23)4-5-16-14-3-2-10-21(16,17)12-9-18(14)22/h13-19,22-23H,2-12H2,1H3/t13-,14+,15-,16-,17-,18-,19-,20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.99E+3	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))	BDBM50211103 ((1R,2S,5S,6S,9S,10R,13S,14R,15S)-5-methylpentacycl...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H]5CCC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O Show InChI InChI=1S/C21H34O2/c1-20-11-8-17-13(15(20)6-7-19(20)23)4-5-16-14-3-2-10-21(16,17)12-9-18(14)22/h13-19,22-23H,2-12H2,1H3/t13-,14+,15-,16-,17-,18-,19-,20-,21-/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	1.30E+3	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