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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50544708'   
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))
BDBM50544708
PNG
(CHEBI:34029 | CHEMBL2392656)
Show SMILES CC(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERbeta ligand binding domain expressed in Escherichia coli BL21alpha cells inc...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115274
BindingDB Entry DOI: 10.7270/Q2XD157Q
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50544708
PNG
(CHEBI:34029 | CHEMBL2392656)
Show SMILES CC(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115274
BindingDB Entry DOI: 10.7270/Q2XD157Q
More data for this
Ligand-Target Pair