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BDBM48879 MLS000660477::N-(4-acetylphenyl)-2-(2-nitrothiophen-3-yl)sulfanylacetamide::N-(4-acetylphenyl)-2-[(2-nitro-3-thienyl)thio]acetamide::N-(4-acetylphenyl)-2-[(2-nitro-3-thiophenyl)thio]acetamide::N-(4-acetylphenyl)-2-[(2-nitrothien-3-yl)thio]acetamide::N-(4-ethanoylphenyl)-2-(2-nitrothiophen-3-yl)sulfanyl-ethanamide::SMR000309996::cid_16195563

SMILES: CC(=O)c1ccc(NC(=O)CSc2ccsc2[N+]([O-])=O)cc1

InChI Key: InChIKey=LOQLRFNYEDDFPA-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 48879   
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
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens (Human))
BDBM48879
PNG
(MLS000660477 | N-(4-acetylphenyl)-2-(2-nitrothioph...)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2ccsc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H12N2O4S2/c1-9(17)10-2-4-11(5-3-10)15-13(18)8-22-12-6-7-21-14(12)16(19)20/h2-7H,8H2,1H3,(H,15,18)
PDB

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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
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM48879
PNG
(MLS000660477 | N-(4-acetylphenyl)-2-(2-nitrothioph...)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2ccsc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H12N2O4S2/c1-9(17)10-2-4-11(5-3-10)15-13(18)8-22-12-6-7-21-14(12)16(19)20/h2-7H,8H2,1H3,(H,15,18)
PDB
MMDB

KEGG

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n/an/a 3.78E+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: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM48879
PNG
(MLS000660477 | N-(4-acetylphenyl)-2-(2-nitrothioph...)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2ccsc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H12N2O4S2/c1-9(17)10-2-4-11(5-3-10)15-13(18)8-22-12-6-7-21-14(12)16(19)20/h2-7H,8H2,1H3,(H,15,18)
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n/an/a 3.83E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM48879
PNG
(MLS000660477 | N-(4-acetylphenyl)-2-(2-nitrothioph...)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2ccsc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H12N2O4S2/c1-9(17)10-2-4-11(5-3-10)15-13(18)8-22-12-6-7-21-14(12)16(19)20/h2-7H,8H2,1H3,(H,15,18)
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n/an/a 4.82E+4n/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 (2009)


BindingDB Entry DOI: 10.7270/Q20P0XFH
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM48879
PNG
(MLS000660477 | N-(4-acetylphenyl)-2-(2-nitrothioph...)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2ccsc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H12N2O4S2/c1-9(17)10-2-4-11(5-3-10)15-13(18)8-22-12-6-7-21-14(12)16(19)20/h2-7H,8H2,1H3,(H,15,18)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM48879
PNG
(MLS000660477 | N-(4-acetylphenyl)-2-(2-nitrothioph...)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2ccsc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H12N2O4S2/c1-9(17)10-2-4-11(5-3-10)15-13(18)8-22-12-6-7-21-14(12)16(19)20/h2-7H,8H2,1H3,(H,15,18)
PDB
MMDB

NCI pathway
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n/an/a 400n/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: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair