BDBM50145489 (2S,3R)-3-Cyclohexyl-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol::CHEMBL85090

SMILES: Oc1ccc2O[C@H]([C@H](Sc2c1)C1CCCCC1)c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=YDDKFGNAKZTILR-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 = 50145489   

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))	BDBM50145489 ((2S,3R)-3-Cyclohexyl-2-[4-(2-piperidin-1-yl-ethoxy...) Show SMILES Oc1ccc2O[C@H]([C@H](Sc2c1)C1CCCCC1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H35NO3S/c29-22-11-14-24-25(19-22)32-27(21-7-3-1-4-8-21)26(31-24)20-9-12-23(13-10-20)30-18-17-28-15-5-2-6-16-28/h9-14,19,21,26-27,29H,1-8,15-18H2/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	2.60	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 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))	BDBM50145489 ((2S,3R)-3-Cyclohexyl-2-[4-(2-piperidin-1-yl-ethoxy...) Show SMILES Oc1ccc2O[C@H]([C@H](Sc2c1)C1CCCCC1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H35NO3S/c29-22-11-14-24-25(19-22)32-27(21-7-3-1-4-8-21)26(31-24)20-9-12-23(13-10-20)30-18-17-28-15-5-2-6-16-28/h9-14,19,21,26-27,29H,1-8,15-18H2/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	16	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