BDBM50146273 (2R,3S)-3-(4-Hydroxy-phenyl)-5-methyl-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-7-ol::CHEMBL93793

SMILES: Cc1cc(O)cc2O[C@@H]([C@@H](Sc12)c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=ATTRNIIVHKTCGI-IAPPQJPRSA-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 = 50146273   

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
Estrogen receptor (Homo sapiens (Human))	BDBM50146273 ((2R,3S)-3-(4-Hydroxy-phenyl)-5-methyl-2-[4-(2-pipe...) Show SMILES Cc1cc(O)cc2O[C@@H]([C@@H](Sc12)c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO4S/c1-19-17-23(31)18-25-27(19)34-28(21-5-9-22(30)10-6-21)26(33-25)20-7-11-24(12-8-20)32-16-15-29-13-3-2-4-14-29/h5-12,17-18,26,28,30-31H,2-4,13-16H2,1H3/t26-,28+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.5	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
Estrogen receptor (Homo sapiens (Human))	BDBM50146273 ((2R,3S)-3-(4-Hydroxy-phenyl)-5-methyl-2-[4-(2-pipe...) Show SMILES Cc1cc(O)cc2O[C@@H]([C@@H](Sc12)c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO4S/c1-19-17-23(31)18-25-27(19)34-28(21-5-9-22(30)10-6-21)26(33-25)20-7-11-24(12-8-20)32-16-15-29-13-3-2-4-14-29/h5-12,17-18,26,28,30-31H,2-4,13-16H2,1H3/t26-,28+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	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))	BDBM50146273 ((2R,3S)-3-(4-Hydroxy-phenyl)-5-methyl-2-[4-(2-pipe...) Show SMILES Cc1cc(O)cc2O[C@@H]([C@@H](Sc12)c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO4S/c1-19-17-23(31)18-25-27(19)34-28(21-5-9-22(30)10-6-21)26(33-25)20-7-11-24(12-8-20)32-16-15-29-13-3-2-4-14-29/h5-12,17-18,26,28,30-31H,2-4,13-16H2,1H3/t26-,28+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50146273 ((2R,3S)-3-(4-Hydroxy-phenyl)-5-methyl-2-[4-(2-pipe...) Show SMILES Cc1cc(O)cc2O[C@@H]([C@@H](Sc12)c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO4S/c1-19-17-23(31)18-25-27(19)34-28(21-5-9-22(30)10-6-21)26(33-25)20-7-11-24(12-8-20)32-16-15-29-13-3-2-4-14-29/h5-12,17-18,26,28,30-31H,2-4,13-16H2,1H3/t26-,28+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	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