BDBM50145497 (2S,3R)-3-tert-Butyl-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol::CHEMBL419110

SMILES: CC(C)(C)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=MCRPJSKNOHRSAO-ZEQRLZLVSA-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 = 50145497   

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))	BDBM50145497 ((2S,3R)-3-tert-Butyl-2-[4-(2-piperidin-1-yl-ethoxy...) Show SMILES CC(C)(C)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C25H33NO3S/c1-25(2,3)24-23(29-21-12-9-19(27)17-22(21)30-24)18-7-10-20(11-8-18)28-16-15-26-13-5-4-6-14-26/h7-12,17,23-24,27H,4-6,13-16H2,1-3H3/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human estrogen receptor alpha				Bioorg Med Chem Lett 14: 2551-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.084 BindingDB Entry DOI: 10.7270/Q27W6BM7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50145497 ((2S,3R)-3-tert-Butyl-2-[4-(2-piperidin-1-yl-ethoxy...) Show SMILES CC(C)(C)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C25H33NO3S/c1-25(2,3)24-23(29-21-12-9-19(27)17-22(21)30-24)18-7-10-20(11-8-18)28-16-15-26-13-5-4-6-14-26/h7-12,17,23-24,27H,4-6,13-16H2,1-3H3/t23-,24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vivo inhibition of human ERalpha/ERbeta co-expressed in HEK 293 cells; 137/1375				Bioorg Med Chem Lett 14: 2551-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.084 BindingDB Entry DOI: 10.7270/Q27W6BM7
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50145497 ((2S,3R)-3-tert-Butyl-2-[4-(2-piperidin-1-yl-ethoxy...) Show SMILES CC(C)(C)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C25H33NO3S/c1-25(2,3)24-23(29-21-12-9-19(27)17-22(21)30-24)18-7-10-20(11-8-18)28-16-15-26-13-5-4-6-14-26/h7-12,17,23-24,27H,4-6,13-16H2,1-3H3/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	43	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human estrogen receptor beta (ERbeta)				Bioorg Med Chem Lett 14: 2551-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.084 BindingDB Entry DOI: 10.7270/Q27W6BM7
					More data for this Ligand-Target Pair