Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50146276'   

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))	BDBM50146276 ((2S,3R)-2-{4-[2-(2,6-Dimethyl-piperidin-1-yl)-etho...) Show SMILES CC1CCCC(C)N1CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1cccc(O)c1 Show InChI InChI=1S/C29H33NO4S/c1-19-5-3-6-20(2)30(19)15-16-33-25-12-9-21(10-13-25)28-29(22-7-4-8-23(31)17-22)35-27-18-24(32)11-14-26(27)34-28/h4,7-14,17-20,28-29,31-32H,3,5-6,15-16H2,1-2H3/t19?,20?,28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-17-beta-estradiol from full length human estrogen receptor alpha				Bioorg Med Chem Lett 14: 2741-5 (2004) Article DOI: 10.1016/j.bmcl.2004.03.074 BindingDB Entry DOI: 10.7270/Q28P5ZZ1
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