BDBM50169748 (2S,3R)-3-(4-Hydroxy-phenyl)-2-{4-[(S)-2-((R)-3-methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-2,3-dihydro-benzo[1,4]oxathiin-6-ol::(2S,3R)-3-(4-hydroxyphenyl)-2-(4-((S)-2-((R)-3-methylpyrrolidin-1-yl)propoxy)phenyl)-2,3-dihydrobenzo[b][1,4]oxathiin-6-ol::CHEMBL182402

SMILES: C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1

InChI Key: InChIKey=HQIHZXMANDEWIH-GSGOWXKQSA-N

Data: 3 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 3 hits for monomerid = 50169748   

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))	BDBM50169748 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-{4-[(S)-2-((R)-3-me...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1 Show InChI InChI=1S/C28H31NO4S/c1-18-13-14-29(16-18)19(2)17-32-24-10-5-20(6-11-24)27-28(21-3-7-22(30)8-4-21)34-26-15-23(31)9-12-25(26)33-27/h3-12,15,18-19,27-28,30-31H,13-14,16-17H2,1-2H3/t18-,19+,27+,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	52	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human estrogen receptor 2 using tritiated estradiol incubated for 3 hr				Bioorg Med Chem Lett 15: 3912-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.089 BindingDB Entry DOI: 10.7270/Q2DV1JDB
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50169748 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-{4-[(S)-2-((R)-3-me...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1 Show InChI InChI=1S/C28H31NO4S/c1-18-13-14-29(16-18)19(2)17-32-24-10-5-20(6-11-24)27-28(21-3-7-22(30)8-4-21)34-26-15-23(31)9-12-25(26)33-27/h3-12,15,18-19,27-28,30-31H,13-14,16-17H2,1-2H3/t18-,19+,27+,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	52	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 ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 15: 5124-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.084 BindingDB Entry DOI: 10.7270/Q2BZ65MS
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50169748 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-{4-[(S)-2-((R)-3-me...) Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1 Show InChI InChI=1S/C28H31NO4S/c1-18-13-14-29(16-18)19(2)17-32-24-10-5-20(6-11-24)27-28(21-3-7-22(30)8-4-21)34-26-15-23(31)9-12-25(26)33-27/h3-12,15,18-19,27-28,30-31H,13-14,16-17H2,1-2H3/t18-,19+,27+,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	1.30	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 ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 15: 5124-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.084 BindingDB Entry DOI: 10.7270/Q2BZ65MS
					More data for this Ligand-Target Pair