Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50194089'   

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))	BDBM50194089 (9a-benzyl-6-methyl-8,9,9a,10-tetrahydroindeno[2,1-...) Show SMILES CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccccc2)CCC1=O |c:1| Show InChI InChI=1S/C22H20N2O/c1-14-20(25)9-10-22(11-15-5-3-2-4-6-15)12-17-16(21(14)22)7-8-19-18(17)13-23-24-19/h2-8,13H,9-12H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER beta				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
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