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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 = 'BDBM39952'   
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))
BDBM39952
PNG
(2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,...)
Show SMILES CCc1cc2c(nc(SCC(=O)NC(=O)NCc3ccco3)n(CC=C)c2=O)s1
Show InChI InChI=1S/C19H20N4O4S2/c1-3-7-23-17(25)14-9-13(4-2)29-16(14)22-19(23)28-11-15(24)21-18(26)20-10-12-6-5-8-27-12/h3,5-6,8-9H,1,4,7,10-11H2,2H3,(H2,20,21,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 31.7n/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))
BDBM39952
PNG
(2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,...)
Show SMILES CCc1cc2c(nc(SCC(=O)NC(=O)NCc3ccco3)n(CC=C)c2=O)s1
Show InChI InChI=1S/C19H20N4O4S2/c1-3-7-23-17(25)14-9-13(4-2)29-16(14)22-19(23)28-11-15(24)21-18(26)20-10-12-6-5-8-27-12/h3,5-6,8-9H,1,4,7,10-11H2,2H3,(H2,20,21,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.36E+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