Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50162805'   

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))	BDBM50162805 ((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...) Show SMILES C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C28H30FNO4/c1-18-25(19-4-8-21(31)9-5-19)28(34-24-13-12-23(32)27(29)26(18)24)20-6-10-22(11-7-20)33-17-16-30-14-2-3-15-30/h4-13,18,25,28,31-32H,2-3,14-17H2,1H3/t18-,25+,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
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