BDBM42241 5-methyl-4-[1-(4-methylphenyl)-2-nitro-ethyl]-2-phenyl-1H-pyrazol-3-one::5-methyl-4-[1-(4-methylphenyl)-2-nitroethyl]-2-phenyl-1H-pyrazol-3-one::5-methyl-4-[2-nitro-1-(p-tolyl)ethyl]-2-phenyl-3-pyrazolin-3-one::MLS000697117::SMR000237848::cid_4426756

SMILES Cc1ccc(C(C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)cc1

InChI Key InChIKey=AVZIXPQZKUWQMG-UHFFFAOYSA-N

Data  7 IC50  1 EC50

  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 7 hits for monomerid = 42241   

TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 42241BDBM42241(5-methyl-4-[1-(4-methylphenyl)-2-nitro-ethyl]-2-ph...)
Affinity DataIC50: 2.41E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay
TargetTyrosyl-DNA phosphodiesterase 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 42241BDBM42241(5-methyl-4-[1-(4-methylphenyl)-2-nitro-ethyl]-2-ph...)
Affinity DataIC50: 2.42E+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:
8/8/2014
Entry Details
PCBioAssay
TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 42241BDBM42241(5-methyl-4-[1-(4-methylphenyl)-2-nitro-ethyl]-2-ph...)
Affinity DataIC50: 2.99E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2012
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University of Pittsburgh

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 42241BDBM42241(5-methyl-4-[1-(4-methylphenyl)-2-nitro-ethyl]-2-ph...)
Affinity DataIC50: 5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University of Pittsburgh

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 42241BDBM42241(5-methyl-4-[1-(4-methylphenyl)-2-nitro-ethyl]-2-ph...)
Affinity DataIC50: 5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University of Pittsburgh

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 42241BDBM42241(5-methyl-4-[1-(4-methylphenyl)-2-nitro-ethyl]-2-ph...)
Affinity DataIC50: 5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 42241BDBM42241(5-methyl-4-[1-(4-methylphenyl)-2-nitro-ethyl]-2-ph...)
Affinity DataIC50: 1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay