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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 59531   
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
Tumor necrosis factor


(Homo sapiens (Human))
BDBM59531
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...)
Show SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O
Show InChI InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-
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n/an/a 842n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25M6443
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 3


(Homo sapiens (Human))
BDBM59531
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...)
Show SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O
Show InChI InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-
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n/an/a 3.24E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2C24V0K
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 3


(Homo sapiens (Human))
BDBM59531
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...)
Show SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O
Show InChI InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-
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n/an/a 8.48E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Tegument protein VP16


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM59531
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...)
Show SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O
Show InChI InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-
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n/an/a 2.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM59531
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...)
Show SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O
Show InChI InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-
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n/an/a 2.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM59531
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...)
Show SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O
Show InChI InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-
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n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair