Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50128402'   

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))	BDBM50128402 (2-(4-Hydroxy-phenyl)-1-[4-(2-pyrrolidin-1-yl-ethox...) Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N2O3/c30-23-8-3-20(4-9-23)26-13-5-21-19-24(31)10-14-27(21)29(26)22-6-11-25(12-7-22)32-18-17-28-15-1-2-16-28/h3-4,6-12,14,19,26,30-31H,1-2,5,13,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for estrogen receptor alpha				Bioorg Med Chem Lett 13: 1907-10 (2003) BindingDB Entry DOI: 10.7270/Q2K35T16
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