Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50167738'   

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))	BDBM50167738 (10-[4-(2-Morpholin-4-yl-ethoxy)-benzyl]-10H-benzo[...) Show SMILES Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCOCC4)cc3)c21 Show InChI InChI=1S/C27H26N2O4S/c30-19-4-8-24-23(15-19)27-26(22-7-3-20(31)16-25(22)34-27)29(24)17-18-1-5-21(6-2-18)33-14-11-28-9-12-32-13-10-28/h1-8,15-16,30-31H,9-14,17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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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