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3 similar compounds to monomer 31063

Compile data set for download or QSAR
Wt: 320.2
BDBM43524
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Wt: 332.2
BDBM70525
Wt: 298.3
BDBM72522
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 43524,70525,72522   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
STAT3


(Homo sapiens (Human))
BDBM43524
PNG
(4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3
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UniChem

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PCBioAssay
n/an/a 2.38E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM43524
PNG
(4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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UniChem

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PCBioAssay
n/an/a 1.21E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM43524
PNG
(4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
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UniChem

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PCBioAssay
n/an/a 2.44E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM72522
PNG
(4-(difluoromethyl)-2-mesyl-6-(p-tolyl)pyrimidine |...)
Show SMILES Cc1ccc(cc1)-c1cc(nc(n1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C13H12F2N2O2S/c1-8-3-5-9(6-4-8)10-7-11(12(14)15)17-13(16-10)20(2,18)19/h3-7,12H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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UniChem

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PCBioAssay
n/an/an/an/a 1.31E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM43524
PNG
(4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.00E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM43524
PNG
(4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
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UniChem

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PCBioAssay
n/an/a 2.44E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
Galanin receptor 3


(Homo sapiens (Human))
BDBM43524
PNG
(4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3
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UniProtKB/SwissProt

GoogleScholar
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UniChem

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PCBioAssay
n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM43524
PNG
(4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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n/an/a 2.74E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM70525
PNG
(2-mesyl-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyr...)
Show SMILES COc1ccc(cc1)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O3S/c1-21-9-5-3-8(4-6-9)10-7-11(13(14,15)16)18-12(17-10)22(2,19)20/h3-7H,1-2H3
PDB
MMDB

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UniProtKB/TrEMBL

B.MOAD
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n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2XS5T0R
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM43524
PNG
(4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
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UniChem

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PCBioAssay
n/an/a 1.77E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2XS5T0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM70525
PNG
(2-mesyl-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyr...)
Show SMILES COc1ccc(cc1)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O3S/c1-21-9-5-3-8(4-6-9)10-7-11(13(14,15)16)18-12(17-10)22(2,19)20/h3-7H,1-2H3
PDB

UniProtKB/SwissProt

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UniChem

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PCBioAssay
n/an/a 5.47E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2T15278
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM43524
PNG
(4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem

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PCBioAssay
n/an/a 2.79E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2T15278
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM43524
PNG
(4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3
UniProtKB/SwissProt

GoogleScholar
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PC cid
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UniChem

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PCBioAssay
n/an/a 1.37E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair