Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50167734'   

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))	BDBM50167734 (10-[4-(2-Piperidin-1-yl-ethoxy)-benzyl]-10H-benzo[...) Show SMILES Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCCCC4)cc3)c21 Show InChI InChI=1S/C28H28N2O3S/c31-20-7-11-25-24(16-20)28-27(23-10-6-21(32)17-26(23)34-28)30(25)18-19-4-8-22(9-5-19)33-15-14-29-12-2-1-3-13-29/h4-11,16-17,31-32H,1-3,12-15,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.84	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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