BDBM50146257 (2S,3R)-2-[4-(2-Dimethylamino-ethoxy)-phenyl]-3-(3-hydroxy-phenyl)-2,3-dihydro-benzo[1,4]oxathiin-6-ol::CHEMBL329902

SMILES: CN(C)CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1cccc(O)c1

InChI Key: InChIKey=LZVVYZMWHNBABR-BJKOFHAPSA-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 = 50146257   

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))	BDBM50146257 ((2S,3R)-2-[4-(2-Dimethylamino-ethoxy)-phenyl]-3-(3...) Show SMILES CN(C)CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1cccc(O)c1 Show InChI InChI=1S/C24H25NO4S/c1-25(2)12-13-28-20-9-6-16(7-10-20)23-24(17-4-3-5-18(26)14-17)30-22-15-19(27)8-11-21(22)29-23/h3-11,14-15,23-24,26-27H,12-13H2,1-2H3/t23-,24+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	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))	BDBM50146257 ((2S,3R)-2-[4-(2-Dimethylamino-ethoxy)-phenyl]-3-(3...) Show SMILES CN(C)CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1cccc(O)c1 Show InChI InChI=1S/C24H25NO4S/c1-25(2)12-13-28-20-9-6-16(7-10-20)23-24(17-4-3-5-18(26)14-17)30-22-15-19(27)8-11-21(22)29-23/h3-11,14-15,23-24,26-27H,12-13H2,1-2H3/t23-,24+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	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))	BDBM50146257 ((2S,3R)-2-[4-(2-Dimethylamino-ethoxy)-phenyl]-3-(3...) Show SMILES CN(C)CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1cccc(O)c1 Show InChI InChI=1S/C24H25NO4S/c1-25(2)12-13-28-20-9-6-16(7-10-20)23-24(17-4-3-5-18(26)14-17)30-22-15-19(27)8-11-21(22)29-23/h3-11,14-15,23-24,26-27H,12-13H2,1-2H3/t23-,24+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	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))	BDBM50146257 ((2S,3R)-2-[4-(2-Dimethylamino-ethoxy)-phenyl]-3-(3...) Show SMILES CN(C)CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1cccc(O)c1 Show InChI InChI=1S/C24H25NO4S/c1-25(2)12-13-28-20-9-6-16(7-10-20)23-24(17-4-3-5-18(26)14-17)30-22-15-19(27)8-11-21(22)29-23/h3-11,14-15,23-24,26-27H,12-13H2,1-2H3/t23-,24+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	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