BDBM50275919 1-{2-[4-(8-Fluoro-4-phenyl-2,3-dihydro-benzo[b]oxepin-5-yl)-phenoxy]-ethyl}-pyrrolidine::CHEMBL469512

SMILES: Fc1ccc2c(OCCC(c3ccccc3)=C2c2ccc(OCCN3CCCC3)cc2)c1

InChI Key: InChIKey=BSPFIIPEVRUTTR-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 = 50275919   

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))	BDBM50275919 (1-{2-[4-(8-Fluoro-4-phenyl-2,3-dihydro-benzo[b]oxe...) Show SMILES Fc1ccc2c(OCCC(c3ccccc3)=C2c2ccc(OCCN3CCCC3)cc2)c1 |c:16| Show InChI InChI=1S/C28H28FNO2/c29-23-10-13-26-27(20-23)32-18-14-25(21-6-2-1-3-7-21)28(26)22-8-11-24(12-9-22)31-19-17-30-15-4-5-16-30/h1-3,6-13,20H,4-5,14-19H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	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))	BDBM50275919 (1-{2-[4-(8-Fluoro-4-phenyl-2,3-dihydro-benzo[b]oxe...) Show SMILES Fc1ccc2c(OCCC(c3ccccc3)=C2c2ccc(OCCN3CCCC3)cc2)c1 |c:16| Show InChI InChI=1S/C28H28FNO2/c29-23-10-13-26-27(20-23)32-18-14-25(21-6-2-1-3-7-21)28(26)22-8-11-24(12-9-22)31-19-17-30-15-4-5-16-30/h1-3,6-13,20H,4-5,14-19H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.2	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