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BDBM54427 2-(benzenesulfonyl)-3-nitropyridine::2-besyl-3-nitro-pyridine::3-nitro-2-(phenylsulfonyl)pyridine::MLS001166178::SMR000550054::cid_371687

SMILES: [O-][N+](=O)c1cccnc1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=QBXNQOWQGUPAEO-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 54427   
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
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM54427
PNG
(2-(benzenesulfonyl)-3-nitropyridine | 2-besyl-3-ni...)
Show SMILES [O-][N+](=O)c1cccnc1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C11H8N2O4S/c14-13(15)10-7-4-8-12-11(10)18(16,17)9-5-2-1-3-6-9/h1-8H
PDB

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PCBioAssay
n/an/a 4.56E+3n/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)


Article DOI: 10.1021/cb400526n
BindingDB Entry DOI: 10.7270/Q23R0R8T
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM54427
PNG
(2-(benzenesulfonyl)-3-nitropyridine | 2-besyl-3-ni...)
Show SMILES [O-][N+](=O)c1cccnc1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C11H8N2O4S/c14-13(15)10-7-4-8-12-11(10)18(16,17)9-5-2-1-3-6-9/h1-8H
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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UniChem

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n/an/an/an/a 1.19E+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
Tumor necrosis factor


(Homo sapiens (Human))
BDBM54427
PNG
(2-(benzenesulfonyl)-3-nitropyridine | 2-besyl-3-ni...)
Show SMILES [O-][N+](=O)c1cccnc1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C11H8N2O4S/c14-13(15)10-7-4-8-12-11(10)18(16,17)9-5-2-1-3-6-9/h1-8H
PDB
MMDB

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PCBioAssay
n/an/a 2.38E+3n/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)


Article DOI: 10.1002/cbic.201402089
BindingDB Entry DOI: 10.7270/Q25M6443
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM54427
PNG
(2-(benzenesulfonyl)-3-nitropyridine | 2-besyl-3-ni...)
Show SMILES [O-][N+](=O)c1cccnc1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C11H8N2O4S/c14-13(15)10-7-4-8-12-11(10)18(16,17)9-5-2-1-3-6-9/h1-8H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.24E+4n/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)


Article DOI: 10.1016/j.bioorg.2013.09.002
BindingDB Entry DOI: 10.7270/Q2CN72C0
More data for this
Ligand-Target Pair