BDBM50146265 3-(4-Fluoro-phenyl)-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol::CHEMBL93546

SMILES: Oc1ccc2OC(C(Sc2c1)c1ccc(F)cc1)c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=PXQIHYPEOSFFBY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50146265   

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))	BDBM50146265 (3-(4-Fluoro-phenyl)-2-[4-(2-piperidin-1-yl-ethoxy)...) Show SMILES Oc1ccc2OC(C(Sc2c1)c1ccc(F)cc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H28FNO3S/c28-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-29-14-2-1-3-15-29/h4-13,18,26-27,30H,1-3,14-17H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-17-beta-estradiol from full length human estrogen receptor beta				Bioorg Med Chem Lett 14: 2741-5 (2004) Article DOI: 10.1016/j.bmcl.2004.03.074 BindingDB Entry DOI: 10.7270/Q28P5ZZ1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146265 (3-(4-Fluoro-phenyl)-2-[4-(2-piperidin-1-yl-ethoxy)...) Show SMILES Oc1ccc2OC(C(Sc2c1)c1ccc(F)cc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H28FNO3S/c28-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-29-14-2-1-3-15-29/h4-13,18,26-27,30H,1-3,14-17H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-17-beta-estradiol from full length human estrogen receptor alpha				Bioorg Med Chem Lett 14: 2741-5 (2004) Article DOI: 10.1016/j.bmcl.2004.03.074 BindingDB Entry DOI: 10.7270/Q28P5ZZ1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146265 (3-(4-Fluoro-phenyl)-2-[4-(2-piperidin-1-yl-ethoxy)...) Show SMILES Oc1ccc2OC(C(Sc2c1)c1ccc(F)cc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H28FNO3S/c28-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-29-14-2-1-3-15-29/h4-13,18,26-27,30H,1-3,14-17H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-17-beta-estradiol from full length human estrogen receptor alpha				Bioorg Med Chem Lett 14: 2741-5 (2004) Article DOI: 10.1016/j.bmcl.2004.03.074 BindingDB Entry DOI: 10.7270/Q28P5ZZ1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146265 (3-(4-Fluoro-phenyl)-2-[4-(2-piperidin-1-yl-ethoxy)...) Show SMILES Oc1ccc2OC(C(Sc2c1)c1ccc(F)cc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H28FNO3S/c28-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-29-14-2-1-3-15-29/h4-13,18,26-27,30H,1-3,14-17H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Potency in cellular transactivation assay utilizing HEK-293 cells stably co-transfected with human estrogen receptor alpha and the alkaline phosphata...				Bioorg Med Chem Lett 14: 2741-5 (2004) Article DOI: 10.1016/j.bmcl.2004.03.074 BindingDB Entry DOI: 10.7270/Q28P5ZZ1
					More data for this Ligand-Target Pair