BDBM50275967 1-(2-{4-[8-Fluoro-4-(4-methanesulfonyl-phenyl)-2,3-dihydro-benzo[b]oxepin-5-yl]-phenoxy}-ethyl)-pyrrolidine::CHEMBL513735

SMILES: CS(=O)(=O)c1ccc(cc1)C1=C(c2ccc(OCCN3CCCC3)cc2)c2ccc(F)cc2OCC1

InChI Key: InChIKey=RCFINIDYFAQFJK-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50275967   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50275967 (1-(2-{4-[8-Fluoro-4-(4-methanesulfonyl-phenyl)-2,3...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(c2ccc(OCCN3CCCC3)cc2)c2ccc(F)cc2OCC1 |c:11| Show InChI InChI=1S/C29H30FNO4S/c1-36(32,33)25-11-6-21(7-12-25)26-14-18-35-28-20-23(30)8-13-27(28)29(26)22-4-9-24(10-5-22)34-19-17-31-15-2-3-16-31/h4-13,20H,2-3,14-19H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein labeled estradiol from human recombinant ERbeta expressed in baculovirus infected insect cells by fluorescence polarizati...				Bioorg Med Chem 16: 9554-73 (2008) Article DOI: 10.1016/j.bmc.2008.09.035 BindingDB Entry DOI: 10.7270/Q2MW2GZ8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50275967 (1-(2-{4-[8-Fluoro-4-(4-methanesulfonyl-phenyl)-2,3...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(c2ccc(OCCN3CCCC3)cc2)c2ccc(F)cc2OCC1 |c:11| Show InChI InChI=1S/C29H30FNO4S/c1-36(32,33)25-11-6-21(7-12-25)26-14-18-35-28-20-23(30)8-13-27(28)29(26)22-4-9-24(10-5-22)34-19-17-31-15-2-3-16-31/h4-13,20H,2-3,14-19H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of fluorescein labeled estradiol from human recombinant ERalpha expressed in baculovirus infected insect cells by fluorescence polarizat...				Bioorg Med Chem 16: 9554-73 (2008) Article DOI: 10.1016/j.bmc.2008.09.035 BindingDB Entry DOI: 10.7270/Q2MW2GZ8
					More data for this Ligand-Target Pair