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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 = 'BDBM48375'   
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))
BDBM48375
PNG
(MLS000096473 | N-(3-cyano-2-thienyl)-2-(quinazolin...)
Show SMILES O=C(CSc1ncnc2ccccc12)Nc1sccc1C#N
Show InChI InChI=1S/C15H10N4OS2/c16-7-10-5-6-21-14(10)19-13(20)8-22-15-11-3-1-2-4-12(11)17-9-18-15/h1-6,9H,8H2,(H,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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))
BDBM48375
PNG
(MLS000096473 | N-(3-cyano-2-thienyl)-2-(quinazolin...)
Show SMILES O=C(CSc1ncnc2ccccc12)Nc1sccc1C#N
Show InChI InChI=1S/C15H10N4OS2/c16-7-10-5-6-21-14(10)19-13(20)8-22-15-11-3-1-2-4-12(11)17-9-18-15/h1-6,9H,8H2,(H,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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