BDBM50145494 (2S,3R)-2-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-3-pyridin-4-yl-2,3-dihydro-benzo[1,4]oxathiin-6-ol::CHEMBL83451

SMILES: Oc1ccc2O[C@H]([C@H](Sc2c1)c1ccncc1)c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=FSRJCUXUSRNUQO-IZZNHLLZSA-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 = 50145494   

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))	BDBM50145494 ((2S,3R)-2-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-3-p...) Show SMILES Oc1ccc2O[C@H]([C@H](Sc2c1)c1ccncc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H28N2O3S/c29-21-6-9-23-24(18-21)32-26(20-10-12-27-13-11-20)25(31-23)19-4-7-22(8-5-19)30-17-16-28-14-2-1-3-15-28/h4-13,18,25-26,29H,1-3,14-17H2/t25-,26+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50145494 ((2S,3R)-2-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-3-p...) Show SMILES Oc1ccc2O[C@H]([C@H](Sc2c1)c1ccncc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H28N2O3S/c29-21-6-9-23-24(18-21)32-26(20-10-12-27-13-11-20)25(31-23)19-4-7-22(8-5-19)30-17-16-28-14-2-1-3-15-28/h4-13,18,25-26,29H,1-3,14-17H2/t25-,26+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	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