BDBM33180 3-({7-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol::3-[[7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol::3-[[7-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol::3-[[7-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-4-nitro-benzofurazan-5-yl]amino]propan-1-ol::MLS000674027::SMR000311305::cid_16193396

SMILES Cc1nnc(Sc2cc(NCCCO)c([N+]([O-])=O)c3nonc23)s1

InChI Key InChIKey=PIMYSBWAQQENMR-UHFFFAOYSA-N

Data  4 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 33180   

TargetBcl-2-related protein A1(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM33180(MLS000674027 | 3-[[7-[(5-methyl-1,3,4-thiadiazol-2...)
Affinity DataEC50:  130nMpH: 7.4 T: 2°CAssay Description:The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2009
Entry Details
PCBioAssay
LigandPNGBDBM33180(MLS000674027 | 3-[[7-[(5-methyl-1,3,4-thiadiazol-2...)
Affinity DataIC50: 3.11E+3nMAssay 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 Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM33180(MLS000674027 | 3-[[7-[(5-methyl-1,3,4-thiadiazol-2...)
Affinity DataIC50: 6.15E+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 Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetToll-like receptor 9(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM33180(MLS000674027 | 3-[[7-[(5-methyl-1,3,4-thiadiazol-2...)
Affinity DataIC50: 7.20E+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 Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM33180(MLS000674027 | 3-[[7-[(5-methyl-1,3,4-thiadiazol-2...)
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 Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM33180(MLS000674027 | 3-[[7-[(5-methyl-1,3,4-thiadiazol-2...)
Affinity DataEC50:  2.12E+4nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay