BDBM50145492 (2S,3R)-3-Cyclopentyl-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-6-ol::CHEMBL431611

SMILES: Oc1ccc2O[C@H]([C@H](Sc2c1)C1CCCC1)c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=AHXSKOONHHFRDE-IZZNHLLZSA-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 = 50145492   

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))	BDBM50145492 ((2S,3R)-3-Cyclopentyl-2-[4-(2-piperidin-1-yl-ethox...) Show SMILES Oc1ccc2O[C@H]([C@H](Sc2c1)C1CCCC1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H33NO3S/c28-21-10-13-23-24(18-21)31-26(20-6-2-3-7-20)25(30-23)19-8-11-22(12-9-19)29-17-16-27-14-4-1-5-15-27/h8-13,18,20,25-26,28H,1-7,14-17H2/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	2.5	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))	BDBM50145492 ((2S,3R)-3-Cyclopentyl-2-[4-(2-piperidin-1-yl-ethox...) Show SMILES Oc1ccc2O[C@H]([C@H](Sc2c1)C1CCCC1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H33NO3S/c28-21-10-13-23-24(18-21)31-26(20-6-2-3-7-20)25(30-23)19-8-11-22(12-9-19)29-17-16-27-14-4-1-5-15-27/h8-13,18,20,25-26,28H,1-7,14-17H2/t25-,26+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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; 22/252				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))	BDBM50145492 ((2S,3R)-3-Cyclopentyl-2-[4-(2-piperidin-1-yl-ethox...) Show SMILES Oc1ccc2O[C@H]([C@H](Sc2c1)C1CCCC1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H33NO3S/c28-21-10-13-23-24(18-21)31-26(20-6-2-3-7-20)25(30-23)19-8-11-22(12-9-19)29-17-16-27-14-4-1-5-15-27/h8-13,18,20,25-26,28H,1-7,14-17H2/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	31	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