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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 = 'BDBM50544707'   
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))
BDBM50544707
PNG
(CHEBI:72754 | CHEMBL1900054)
Show SMILES Oc1ccc(cc1)C(c1ccc(O)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 15n/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))
BDBM50544707
PNG
(CHEBI:72754 | CHEMBL1900054)
Show SMILES Oc1ccc(cc1)C(c1ccc(O)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Antagonist activity at ERbeta (unknown origin) expressed in human HeLa cells assessed as inhibition of E2-induced transcriptional activity measured a...


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