BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50459862'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50459862
PNG
(CHEMBL4228388)
Show SMILES OC(=O)\C=C\c1ccc(cc1)C1=C(CCOc2ccccc12)c1ccc(O)cc1 |t:12|
Show InChI InChI=1S/C25H20O4/c26-20-12-10-18(11-13-20)21-15-16-29-23-4-2-1-3-22(23)25(21)19-8-5-17(6-9-19)7-14-24(27)28/h1-14,26H,15-16H2,(H,27,28)/b14-7+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...


J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50459862
PNG
(CHEMBL4228388)
Show SMILES OC(=O)\C=C\c1ccc(cc1)C1=C(CCOc2ccccc12)c1ccc(O)cc1 |t:12|
Show InChI InChI=1S/C25H20O4/c26-20-12-10-18(11-13-20)21-15-16-29-23-4-2-1-3-22(23)25(21)19-8-5-17(6-9-19)7-14-24(27)28/h1-14,26H,15-16H2,(H,27,28)/b14-7+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 670n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha/beta in human Ishikawa cells after 72 hrs by alkaline phosphatase assay


J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair