BDBM50146267 (2R,3S)-5-Fluoro-3-(4-hydroxy-phenyl)-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol::CHEMBL328716

SMILES: Oc1ccc(cc1)[C@@H]1Sc2c(F)c(O)ccc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=YDQNHZBACNWIHI-FTJBHMTQSA-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 = 50146267   

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))	BDBM50146267 ((2R,3S)-5-Fluoro-3-(4-hydroxy-phenyl)-2-[4-(2-pipe...) Show SMILES Oc1ccc(cc1)[C@@H]1Sc2c(F)c(O)ccc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H28FNO4S/c28-24-22(31)12-13-23-27(24)34-26(19-4-8-20(30)9-5-19)25(33-23)18-6-10-21(11-7-18)32-17-16-29-14-2-1-3-15-29/h4-13,25-26,30-31H,1-3,14-17H2/t25-,26+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	177	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 beta and the alkaline phosphatas...				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))	BDBM50146267 ((2R,3S)-5-Fluoro-3-(4-hydroxy-phenyl)-2-[4-(2-pipe...) Show SMILES Oc1ccc(cc1)[C@@H]1Sc2c(F)c(O)ccc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H28FNO4S/c28-24-22(31)12-13-23-27(24)34-26(19-4-8-20(30)9-5-19)25(33-23)18-6-10-21(11-7-18)32-17-16-29-14-2-1-3-15-29/h4-13,25-26,30-31H,1-3,14-17H2/t25-,26+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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))	BDBM50146267 ((2R,3S)-5-Fluoro-3-(4-hydroxy-phenyl)-2-[4-(2-pipe...) Show SMILES Oc1ccc(cc1)[C@@H]1Sc2c(F)c(O)ccc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H28FNO4S/c28-24-22(31)12-13-23-27(24)34-26(19-4-8-20(30)9-5-19)25(33-23)18-6-10-21(11-7-18)32-17-16-29-14-2-1-3-15-29/h4-13,25-26,30-31H,1-3,14-17H2/t25-,26+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	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))	BDBM50146267 ((2R,3S)-5-Fluoro-3-(4-hydroxy-phenyl)-2-[4-(2-pipe...) Show SMILES Oc1ccc(cc1)[C@@H]1Sc2c(F)c(O)ccc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H28FNO4S/c28-24-22(31)12-13-23-27(24)34-26(19-4-8-20(30)9-5-19)25(33-23)18-6-10-21(11-7-18)32-17-16-29-14-2-1-3-15-29/h4-13,25-26,30-31H,1-3,14-17H2/t25-,26+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	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