BDBM50146263 (2S,3R)-3-(3-Hydroxy-phenyl)-2-[4-(2-morpholin-4-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol::CHEMBL92027

SMILES: Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCOCC2)cc1

InChI Key: InChIKey=YHGHMFOYFUPMEB-IZZNHLLZSA-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 = 50146263   

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))	BDBM50146263 ((2S,3R)-3-(3-Hydroxy-phenyl)-2-[4-(2-morpholin-4-y...) Show SMILES Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCOCC2)cc1 Show InChI InChI=1S/C26H27NO5S/c28-20-3-1-2-19(16-20)26-25(32-23-9-6-21(29)17-24(23)33-26)18-4-7-22(8-5-18)31-15-12-27-10-13-30-14-11-27/h1-9,16-17,25-26,28-29H,10-15H2/t25-,26+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	318	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))	BDBM50146263 ((2S,3R)-3-(3-Hydroxy-phenyl)-2-[4-(2-morpholin-4-y...) Show SMILES Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCOCC2)cc1 Show InChI InChI=1S/C26H27NO5S/c28-20-3-1-2-19(16-20)26-25(32-23-9-6-21(29)17-24(23)33-26)18-4-7-22(8-5-18)31-15-12-27-10-13-30-14-11-27/h1-9,16-17,25-26,28-29H,10-15H2/t25-,26+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	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
Estrogen receptor (Homo sapiens (Human))	BDBM50146263 ((2S,3R)-3-(3-Hydroxy-phenyl)-2-[4-(2-morpholin-4-y...) Show SMILES Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCOCC2)cc1 Show InChI InChI=1S/C26H27NO5S/c28-20-3-1-2-19(16-20)26-25(32-23-9-6-21(29)17-24(23)33-26)18-4-7-22(8-5-18)31-15-12-27-10-13-30-14-11-27/h1-9,16-17,25-26,28-29H,10-15H2/t25-,26+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 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))	BDBM50146263 ((2S,3R)-3-(3-Hydroxy-phenyl)-2-[4-(2-morpholin-4-y...) Show SMILES Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCOCC2)cc1 Show InChI InChI=1S/C26H27NO5S/c28-20-3-1-2-19(16-20)26-25(32-23-9-6-21(29)17-24(23)33-26)18-4-7-22(8-5-18)31-15-12-27-10-13-30-14-11-27/h1-9,16-17,25-26,28-29H,10-15H2/t25-,26+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	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