Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50204804'   

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))	BDBM50204804 ((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...) Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCCCN3CCCCC3)ccc12)-c1ccccc1 Show InChI InChI=1S/C35H43N3O3/c1-26(12-13-27-14-16-29(39)17-15-27)36-34(40)25-32-31-19-18-30(41-23-9-8-22-38-20-6-3-7-21-38)24-33(31)37-35(32)28-10-4-2-5-11-28/h2,4-5,10-11,14-19,24,26,37,39H,3,6-9,12-13,20-23,25H2,1H3,(H,36,40)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay				Bioorg Med Chem Lett 17: 2322-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G
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