BDBM50144852 4-{(2R,3S)-2-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-3-yl}-phenol::CHEMBL68940

SMILES: Oc1ccc(cc1)[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=CTRXRRTXKQGMKA-SXOMAYOGSA-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 = 50144852   

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))	BDBM50144852 (4-{(2R,3S)-2-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-...) Show SMILES Oc1ccc(cc1)[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H29NO3S/c29-22-12-8-21(9-13-22)27-26(31-24-6-2-3-7-25(24)32-27)20-10-14-23(15-11-20)30-19-18-28-16-4-1-5-17-28/h2-3,6-15,26-27,29H,1,4-5,16-19H2/t26-,27+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human recombinant Estrogen receptor alpha was determined				J Med Chem 47: 2171-5 (2004) Article DOI: 10.1021/jm034243o BindingDB Entry DOI: 10.7270/Q2XK8F08
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50144852 (4-{(2R,3S)-2-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-...) Show SMILES Oc1ccc(cc1)[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H29NO3S/c29-22-12-8-21(9-13-22)27-26(31-24-6-2-3-7-25(24)32-27)20-10-14-23(15-11-20)30-19-18-28-16-4-1-5-17-28/h2-3,6-15,26-27,29H,1,4-5,16-19H2/t26-,27+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human recombinant Estrogen receptor beta was determined				J Med Chem 47: 2171-5 (2004) Article DOI: 10.1021/jm034243o BindingDB Entry DOI: 10.7270/Q2XK8F08
					More data for this Ligand-Target Pair