BDBM50145485 (2S,3R)-3-Benzyl-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol::CHEMBL85536

SMILES: Oc1ccc2O[C@H]([C@@H](Cc3ccccc3)Sc2c1)c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=PLAHCTCPRXHVKW-IZLXSDGUSA-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 = 50145485   

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))	BDBM50145485 ((2S,3R)-3-Benzyl-2-[4-(2-piperidin-1-yl-ethoxy)-ph...) Show SMILES Oc1ccc2O[C@H]([C@@H](Cc3ccccc3)Sc2c1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO3S/c30-23-11-14-25-26(20-23)33-27(19-21-7-3-1-4-8-21)28(32-25)22-9-12-24(13-10-22)31-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,20,27-28,30H,2,5-6,15-19H2/t27-,28+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	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))	BDBM50145485 ((2S,3R)-3-Benzyl-2-[4-(2-piperidin-1-yl-ethoxy)-ph...) Show SMILES Oc1ccc2O[C@H]([C@@H](Cc3ccccc3)Sc2c1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO3S/c30-23-11-14-25-26(20-23)33-27(19-21-7-3-1-4-8-21)28(32-25)22-9-12-24(13-10-22)31-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,20,27-28,30H,2,5-6,15-19H2/t27-,28+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	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				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))	BDBM50145485 ((2S,3R)-3-Benzyl-2-[4-(2-piperidin-1-yl-ethoxy)-ph...) Show SMILES Oc1ccc2O[C@H]([C@@H](Cc3ccccc3)Sc2c1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO3S/c30-23-11-14-25-26(20-23)33-27(19-21-7-3-1-4-8-21)28(32-25)22-9-12-24(13-10-22)31-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,20,27-28,30H,2,5-6,15-19H2/t27-,28+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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