Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50149485'   

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))	BDBM50149485 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-{4-[(6R,7S)-2-(octa...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2C[C@H]3CCCC[C@H]3C2)cc1 Show InChI InChI=1S/C30H33NO4S/c32-24-9-5-21(6-10-24)30-29(35-27-14-11-25(33)17-28(27)36-30)20-7-12-26(13-8-20)34-16-15-31-18-22-3-1-2-4-23(22)19-31/h5-14,17,22-23,29-30,32-33H,1-4,15-16,18-19H2/t22-,23+,29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
					More data for this Ligand-Target Pair