Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50167742'   

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))	BDBM50167742 (10-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-10H-benzo...) Show SMILES Oc1ccc2c(c1)sc1c3ccccc3n(Cc3ccc(OCCN4CCCC4)cc3)c21 Show InChI InChI=1S/C27H26N2O2S/c30-20-9-12-23-25(17-20)32-27-22-5-1-2-6-24(22)29(26(23)27)18-19-7-10-21(11-8-19)31-16-15-28-13-3-4-14-28/h1-2,5-12,17,30H,3-4,13-16,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27.2	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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