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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 = 'BDBM48309'   
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))
BDBM48309
PNG
(MLS000031738 | N-[4-(2-pyrimidinylsulfamoyl)phenyl...)
Show SMILES O=C(Cc1cccs1)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C16H14N4O3S2/c21-15(11-13-3-1-10-24-13)19-12-4-6-14(7-5-12)25(22,23)20-16-17-8-2-9-18-16/h1-10H,11H2,(H,19,21)(H,17,18,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 69.9n/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))
BDBM48309
PNG
(MLS000031738 | N-[4-(2-pyrimidinylsulfamoyl)phenyl...)
Show SMILES O=C(Cc1cccs1)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C16H14N4O3S2/c21-15(11-13-3-1-10-24-13)19-12-4-6-14(7-5-12)25(22,23)20-16-17-8-2-9-18-16/h1-10H,11H2,(H,19,21)(H,17,18,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.56E+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