Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50167732'   

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))	BDBM50167732 (10-[4-(2-Azepan-1-yl-ethoxy)-benzyl]-10H-benzo[4,5...) Show SMILES Oc1ccc2c(c1)sc1c3ccccc3n(Cc3ccc(OCCN4CCCCCC4)cc3)c21 Show InChI InChI=1S/C29H30N2O2S/c32-22-11-14-25-27(19-22)34-29-24-7-3-4-8-26(24)31(28(25)29)20-21-9-12-23(13-10-21)33-18-17-30-15-5-1-2-6-16-30/h3-4,7-14,19,32H,1-2,5-6,15-18,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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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