BDBM50157147 (2S,3R)-2-{4-[2-(2,2-Dimethyl-pyrrolidin-1-yl)-ethoxy]-phenyl}-3-(4-hydroxy-phenyl)-2,3-dihydro-benzo[1,4]oxathiin-6-ol::CHEMBL183371

SMILES: CC1(C)CCCN1CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1

InChI Key: InChIKey=ZFDWXHMWRIPYFL-RRPNLBNLSA-N

Data: 2 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 2 hits for monomerid = 50157147   

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 beta (Homo sapiens (Human))	BDBM50157147 ((2S,3R)-2-{4-[2-(2,2-Dimethyl-pyrrolidin-1-yl)-eth...) Show SMILES CC1(C)CCCN1CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1 Show InChI InChI=1S/C28H31NO4S/c1-28(2)14-3-15-29(28)16-17-32-23-11-6-19(7-12-23)26-27(20-4-8-21(30)9-5-20)34-25-18-22(31)10-13-24(25)33-26/h4-13,18,26-27,30-31H,3,14-17H2,1-2H3/t26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to recombinant human estrogen receptor beta				Bioorg Med Chem Lett 15: 107-13 (2004) Article DOI: 10.1016/j.bmcl.2004.10.036 BindingDB Entry DOI: 10.7270/Q2GM86S0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157147 ((2S,3R)-2-{4-[2-(2,2-Dimethyl-pyrrolidin-1-yl)-eth...) Show SMILES CC1(C)CCCN1CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1 Show InChI InChI=1S/C28H31NO4S/c1-28(2)14-3-15-29(28)16-17-32-23-11-6-19(7-12-23)26-27(20-4-8-21(30)9-5-20)34-25-18-22(31)10-13-24(25)33-26/h4-13,18,26-27,30-31H,3,14-17H2,1-2H3/t26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of bindign to recombinant human estrogen receptor alpha				Bioorg Med Chem Lett 15: 107-13 (2004) Article DOI: 10.1016/j.bmcl.2004.10.036 BindingDB Entry DOI: 10.7270/Q2GM86S0
					More data for this Ligand-Target Pair