Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50187967'   

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))	BDBM50187967 (CHEMBL379567 | rac-9a-ethyl-6-methyl-9,9a-dihydroi...) Show SMILES CCC12CCC(=O)C(C)=C1c1ccc3[nH]ncc3c1C2=O |c:8| Show InChI InChI=1S/C17H16N2O2/c1-3-17-7-6-13(20)9(2)15(17)10-4-5-12-11(8-18-19-12)14(10)16(17)21/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
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