Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50185864'   

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))	BDBM50185864 (9a-butyl-4-ethyl-7-hydroxy-1,2,9,9a-tetrahydrofluo...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(CC)C(=O)CC2 |t:15| Show InChI InChI=1S/C19H24O2/c1-3-5-9-19-10-8-17(21)15(4-2)18(19)16-7-6-14(20)11-13(16)12-19/h6-7,11,20H,3-5,8-10,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
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