Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50145491'   

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))	BDBM50145491 ((2S,3R)-3-Isopropyl-2-[4-(2-piperidin-1-yl-ethoxy)...) Show SMILES CC(C)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C24H31NO3S/c1-17(2)24-23(28-21-11-8-19(26)16-22(21)29-24)18-6-9-20(10-7-18)27-15-14-25-12-4-3-5-13-25/h6-11,16-17,23-24,26H,3-5,12-15H2,1-2H3/t23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human estrogen receptor alpha				Bioorg Med Chem Lett 14: 2551-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.084 BindingDB Entry DOI: 10.7270/Q27W6BM7
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