BDBM68015 2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl butanoate::2-{[7-(1H-benzimidazol-2-ylthio)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl butyrate::MLS000584442::SMR000207028::butanoic acid 2-[[7-(1H-benzimidazol-2-ylthio)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester::butyric acid 2-[[7-(1H-benzimidazol-2-ylthio)-4-nitro-benzofurazan-5-yl]amino]ethyl ester::cid_12005313

SMILES CCCC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O

InChI Key InChIKey=ZYVXYXANIFTTCA-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 68015   

TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68015(2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3...)
Affinity DataIC50:  5.36E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68015(2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3...)
Affinity DataIC50:  1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM68015(2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3...)
Affinity DataIC50:  1.09E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetToll-like receptor 9(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM68015(2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3...)
Affinity DataIC50:  6.09E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68015(2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3...)
Affinity DataIC50:  5.36E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay