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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 = 'BDBM34511'   
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))
BDBM34511
PNG
(6-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(phenoxymet...)
Show SMILES C(Oc1ccccc1)c1nnc2sc(nn12)C1COc2ccccc2O1
Show InChI InChI=1S/C18H14N4O3S/c1-2-6-12(7-3-1)23-11-16-19-20-18-22(16)21-17(26-18)15-10-24-13-8-4-5-9-14(13)25-15/h1-9,15H,10-11H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 23n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM34511
PNG
(6-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(phenoxymet...)
Show SMILES C(Oc1ccccc1)c1nnc2sc(nn12)C1COc2ccccc2O1
Show InChI InChI=1S/C18H14N4O3S/c1-2-6-12(7-3-1)23-11-16-19-20-18-22(16)21-17(26-18)15-10-24-13-8-4-5-9-14(13)25-15/h1-9,15H,10-11H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair