Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50161704'   

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))	BDBM50161704 ((4-{4-[6-Hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thio...) Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C33H28N2O4S/c1-21-2-4-24(5-3-21)33(39)35-18-16-34(17-19-35)25-10-6-22(7-11-25)31(38)30-28-15-14-27(37)20-29(28)40-32(30)23-8-12-26(36)13-9-23/h2-15,20,36-37H,16-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.74	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1505-7 (2005) Article DOI: 10.1016/j.bmcl.2004.12.074 BindingDB Entry DOI: 10.7270/Q2D21X4C
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