BDBM50157148 (2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(3-pyrrolidin-1-yl-propoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol::CHEMBL361751

SMILES: Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCCN2CCCC2)cc1

InChI Key: InChIKey=SHANKUTWRXLKIV-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 = 50157148   

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))	BDBM50157148 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(3-pyrrolidin-1-...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C27H29NO4S/c29-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-3-16-28-14-1-2-15-28/h4-13,18,26-27,29-30H,1-3,14-17H2/t26-,27+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50157148 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(3-pyrrolidin-1-...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C27H29NO4S/c29-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-3-16-28-14-1-2-15-28/h4-13,18,26-27,29-30H,1-3,14-17H2/t26-,27+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	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