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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 = 'BDBM40691'   
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))
BDBM40691
PNG
(2-(2-furanyl)-N-[2-(4-morpholinyl)phenyl]-4-quinol...)
Show SMILES O=C(Nc1ccccc1N1CCOCC1)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C24H21N3O3/c28-24(26-20-8-3-4-9-22(20)27-11-14-29-15-12-27)18-16-21(23-10-5-13-30-23)25-19-7-2-1-6-17(18)19/h1-10,13,16H,11-12,14-15H2,(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.04E+3n/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))
BDBM40691
PNG
(2-(2-furanyl)-N-[2-(4-morpholinyl)phenyl]-4-quinol...)
Show SMILES O=C(Nc1ccccc1N1CCOCC1)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C24H21N3O3/c28-24(26-20-8-3-4-9-22(20)27-11-14-29-15-12-27)18-16-21(23-10-5-13-30-23)25-19-7-2-1-6-17(18)19/h1-10,13,16H,11-12,14-15H2,(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 3.78E+3n/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