Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50253426'   

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))	BDBM50253426 (CHEMBL495338 | N2-Isobutyl-N4-naphthalen-1-ylmethy...) Show SMILES CC(C)CNc1nc(CCc2ccccc2)cc(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C27H30N4/c1-20(2)18-29-27-30-24(16-15-21-9-4-3-5-10-21)17-26(31-27)28-19-23-13-8-12-22-11-6-7-14-25(22)23/h3-14,17,20H,15-16,18-19H2,1-2H3,(H2,28,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity to ERalpha (unknown origin) assessed as inhibition of fluorescein-labeled nuclear receptor domain of steroid receptor coactivator 3 ...				J Med Chem 51: 6512-30 (2008) Article DOI: 10.1021/jm800698b BindingDB Entry DOI: 10.7270/Q2KD1XRF
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