Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50299554'   

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))	BDBM50299554 (1,2,7,9,10,11,12,14-Octahydro-14-oxo-4-(propylthio...) Show SMILES CCCSC1=C(CCc2c1sc1nc3CCCCCCn3c(=O)c21)C=O |t:4| Show InChI InChI=1S/C20H24N2O2S2/c1-2-11-25-17-13(12-23)8-9-14-16-19(26-18(14)17)21-15-7-5-3-4-6-10-22(15)20(16)24/h12H,2-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
FIN-00014 University of Helsinki Curated by ChEMBL					Assay Description Activity at human recombinant ERalpha by fluorescence polarization assay				J Med Chem 52: 6660-71 (2009) Article DOI: 10.1021/jm900928k BindingDB Entry DOI: 10.7270/Q2RV0PMD
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