Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50126772'   

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 beta (Homo sapiens (Human))	BDBM50126772 (7-Isopropenyl-4-methyl-9-[4-(2-piperidin-1-yl-etho...) Show SMILES CC(=C)c1ccc2c(c1)c(cc1cc(O)cc(C)c21)-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C31H33NO2/c1-21(2)24-9-12-28-30(19-24)29(20-25-18-26(33)17-22(3)31(25)28)23-7-10-27(11-8-23)34-16-15-32-13-5-4-6-14-32/h7-12,17-20,33H,1,4-6,13-16H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SignalGene Inc. Curated by ChEMBL					Assay Description In vitro displacement of 0.5 nM [3H]17-beta-estradiol from human Estrogen receptor beta				J Med Chem 46: 1408-18 (2003) Article DOI: 10.1021/jm020536q BindingDB Entry DOI: 10.7270/Q20R9Q5J
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