new BindingDB logo
myBDB logout

BDBM50157146 (2S,3R)-3-(4-Hydroxy-phenyl)-2-{4-[2-((S)-2-methyl-pyrrolidin-1-yl)-ethoxy]-phenyl}-2,3-dihydro-benzo[1,4]oxathiin-6-ol::CHEMBL183344

SMILES: C[C@H]1CCCN1CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1

InChI Key: InChIKey=WLGDFYOOSGHIPS-RHLLTPQKSA-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 = 50157146   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50157146
PNG
((2S,3R)-3-(4-Hydroxy-phenyl)-2-{4-[2-((S)-2-methyl...)
Show SMILES C[C@H]1CCCN1CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1
Show InChI InChI=1S/C27H29NO4S/c1-18-3-2-14-28(18)15-16-31-23-11-6-19(7-12-23)26-27(20-4-8-21(29)9-5-20)33-25-17-22(30)10-13-24(25)32-26/h4-13,17-18,26-27,29-30H,2-3,14-16H2,1H3/t18-,26-,27+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding to recombinant human estrogen receptor beta


Bioorg Med Chem Lett 15: 107-13 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.036
BindingDB Entry DOI: 10.7270/Q2GM86S0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50157146
PNG
((2S,3R)-3-(4-Hydroxy-phenyl)-2-{4-[2-((S)-2-methyl...)
Show SMILES C[C@H]1CCCN1CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1
Show InChI InChI=1S/C27H29NO4S/c1-18-3-2-14-28(18)15-16-31-23-11-6-19(7-12-23)26-27(20-4-8-21(29)9-5-20)33-25-17-22(30)10-13-24(25)32-26/h4-13,17-18,26-27,29-30H,2-3,14-16H2,1H3/t18-,26-,27+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bindign to recombinant human estrogen receptor alpha


Bioorg Med Chem Lett 15: 107-13 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.036
BindingDB Entry DOI: 10.7270/Q2GM86S0
More data for this
Ligand-Target Pair