Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50240313'   

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))	BDBM50240313 (CHEMBL4103516) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCN(C)C)c(C)c1 Show InChI InChI=1S/C25H37NO2/c1-7-13-25(14-8-2,21-9-11-23(27)19(3)17-21)22-10-12-24(20(4)18-22)28-16-15-26(5)6/h9-12,17-18,27H,7-8,13-16H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50240313 (CHEMBL4103516) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCN(C)C)c(C)c1 Show InChI InChI=1S/C25H37NO2/c1-7-13-25(14-8-2,21-9-11-23(27)19(3)17-21)22-10-12-24(20(4)18-22)28-16-15-26(5)6/h9-12,17-18,27H,7-8,13-16H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50240313 (CHEMBL4103516) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCN(C)C)c(C)c1 Show InChI InChI=1S/C25H37NO2/c1-7-13-25(14-8-2,21-9-11-23(27)19(3)17-21)22-10-12-24(20(4)18-22)28-16-15-26(5)6/h9-12,17-18,27H,7-8,13-16H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Antagonist activity at CMX-GAL4N fused human ERalpha expressed in HEK293 cells assessed as reduction in E2 induced response by luciferase reporter ge...				Bioorg Med Chem Lett 27: 2590-2593 (2017) Article DOI: 10.1016/j.bmcl.2017.03.066 BindingDB Entry DOI: 10.7270/Q2S184N9
					More data for this Ligand-Target Pair