Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50149070'   

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))	BDBM50149070 ((2S,3R)-2-[3-Bromo-4-(2-piperidin-1-yl-ethoxy)-phe...) Show SMILES Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2S[C@H]1c1ccc(OCCN2CCCCC2)c(Br)c1 Show InChI InChI=1S/C27H28BrNO3S2/c28-22-16-19(7-9-23(22)32-14-13-29-11-2-1-3-12-29)27-26(18-5-4-6-20(30)15-18)34-25-17-21(31)8-10-24(25)33-27/h4-10,15-17,26-27,30-31H,1-3,11-14H2/t26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor beta				Bioorg Med Chem Lett 14: 3753-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.101 BindingDB Entry DOI: 10.7270/Q29886GZ
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