BDBM46581 2-[1-hydroxy-4-[(3-nitrophenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid::2-[4-[(3-nitrophenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylethanoic acid::2-[[1-hydroxy-4-[(3-nitrophenyl)sulfonylamino]-2-naphthalenyl]thio]acetic acid::2-[[1-hydroxy-4-[(3-nitrophenyl)sulfonylamino]-2-naphthyl]thio]acetic acid::MLS000775741::SMR000369304::cid_2939678

SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c2ccccc2c1O

InChI Key InChIKey=NDBSDAMBGDKOBZ-UHFFFAOYSA-N

Data  10 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 46581   

TargetTransitional endoplasmic reticulum ATPase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46581(SMR000369304 | 2-[1-hydroxy-4-[(3-nitrophenyl)sulf...)
Affinity DataIC50: 1.74E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetTransitional endoplasmic reticulum ATPase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46581(SMR000369304 | 2-[1-hydroxy-4-[(3-nitrophenyl)sulf...)
Affinity DataIC50: 5.00E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM46581(SMR000369304 | 2-[1-hydroxy-4-[(3-nitrophenyl)sulf...)
Affinity DataIC50: 1.36E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetHexokinase HKDC1 [W721R](Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM46581(SMR000369304 | 2-[1-hydroxy-4-[(3-nitrophenyl)sulf...)
Affinity DataIC50: 5.62E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM46581(SMR000369304 | 2-[1-hydroxy-4-[(3-nitrophenyl)sulf...)
Affinity DataIC50: 1.34E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetGlucose-6-phosphate 1-dehydrogenase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM46581(SMR000369304 | 2-[1-hydroxy-4-[(3-nitrophenyl)sulf...)
Affinity DataIC50: 1.22E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetHexokinase HKDC1 [W721R](Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM46581(SMR000369304 | 2-[1-hydroxy-4-[(3-nitrophenyl)sulf...)
Affinity DataIC50: 2.94E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM46581(SMR000369304 | 2-[1-hydroxy-4-[(3-nitrophenyl)sulf...)
Affinity DataIC50: 8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM46581(SMR000369304 | 2-[1-hydroxy-4-[(3-nitrophenyl)sulf...)
Affinity DataIC50: 8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetTyrosyl-DNA phosphodiesterase 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46581(SMR000369304 | 2-[1-hydroxy-4-[(3-nitrophenyl)sulf...)
Affinity DataIC50: 1.29E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay