Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50167741'   

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))	BDBM50167741 (10-[4-(2-Diethylamino-ethoxy)-benzyl]-10H-benzo[4,...) Show SMILES CCN(CC)CCOc1ccc(Cn2c3ccc(O)cc3c3sc4cc(O)ccc4c23)cc1 Show InChI InChI=1S/C27H28N2O3S/c1-3-28(4-2)13-14-32-21-9-5-18(6-10-21)17-29-24-12-8-19(30)15-23(24)27-26(29)22-11-7-20(31)16-25(22)33-27/h5-12,15-16,30-31H,3-4,13-14,17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.2	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibitino of [3H]-17-beta-estradiol binding to human estrogen receptor alpha				Bioorg Med Chem Lett 15: 2891-3 (2005) Article DOI: 10.1016/j.bmcl.2005.03.111 BindingDB Entry DOI: 10.7270/Q2JW8DDX
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