Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50185847'   

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))	BDBM50185847 (7-hydroxy-4-methyl-9a-propyl-1,2,9,9a-tetrahydrofl...) Show SMILES CCCC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:14| Show InChI InChI=1S/C17H20O2/c1-3-7-17-8-6-15(19)11(2)16(17)14-5-4-13(18)9-12(14)10-17/h4-5,9,18H,3,6-8,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	455	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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