Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50162796'   

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))	BDBM50162796 ((2R,3R,4S)-5-Fluoro-3-(4-hydroxy-phenyl)-4-methyl-...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1 Show InChI InChI=1S/C30H34FNO4/c1-18-14-15-32(16-18)19(2)17-35-24-10-6-22(7-11-24)30-27(21-4-8-23(33)9-5-21)20(3)28-26(36-30)13-12-25(34)29(28)31/h4-13,18-20,27,30,33-34H,14-17H2,1-3H3/t18-,19+,20+,27-,30+/m1/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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