BDBM51974 3-methyl-7-[(1-methyl-4-nitro-pyrazol-3-yl)carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid::3-methyl-7-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid::3-methyl-7-[[(1-methyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid::7-[({4-nitro-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid::8-keto-3-methyl-7-[(1-methyl-4-nitro-pyrazole-3-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid::MLS000705418::SMR000231345::cid_4766021

SMILES CC1=C(N2C(SC1)C(NC(=O)c1nn(C)cc1[N+]([O-])=O)C2=O)C(O)=O

InChI Key InChIKey=ZMFSXXOYPIRZKZ-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 51974   

TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51974(SMR000231345 | 3-methyl-7-[[(1-methyl-4-nitro-3-py...)
Affinity DataIC50: 2.01E+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 Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51974(SMR000231345 | 3-methyl-7-[[(1-methyl-4-nitro-3-py...)
Affinity DataIC50: 5.96E+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 Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51974(SMR000231345 | 3-methyl-7-[[(1-methyl-4-nitro-3-py...)
Affinity DataIC50: 8.54E+3nMAssay 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 Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51974(SMR000231345 | 3-methyl-7-[[(1-methyl-4-nitro-3-py...)
Affinity DataIC50: 5.96E+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 Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay