BDBM81037 2-(4-nitrophenyl)-2-oxoethyl N-(4-methylbenzoyl)glycylglycinate::2-[[2-(p-toluoylamino)acetyl]amino]acetic acid [2-keto-2-(4-nitrophenyl)ethyl] ester::2-[[2-[[(4-methylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]acetic acid [2-(4-nitrophenyl)-2-oxoethyl] ester::MLS000576419::SMR000197088::[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-[2-[(4-methylphenyl)carbonylamino]ethanoylamino]ethanoate::[2-(4-nitrophenyl)-2-oxoethyl] 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate::cid_2300528

SMILES Cc1ccc(cc1)C(=O)NCC(=O)NCC(=O)OCC(=O)c1ccc(cc1)[N+]([O-])=O

InChI Key InChIKey=IPSJJARAPXWWOF-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 81037   

TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81037(2-(4-nitrophenyl)-2-oxoethyl N-(4-methylbenzoyl)gl...)
Affinity DataIC50: 5.92E+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 Depth
Date in BDB:
8/4/2011
Entry Details
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81037(2-(4-nitrophenyl)-2-oxoethyl N-(4-methylbenzoyl)gl...)
Affinity DataIC50: 4.84E+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 Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetGlucose-6-phosphate 1-dehydrogenase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81037(2-(4-nitrophenyl)-2-oxoethyl N-(4-methylbenzoyl)gl...)
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 Depth
Date in BDB:
8/4/2011
Entry Details
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81037(2-(4-nitrophenyl)-2-oxoethyl N-(4-methylbenzoyl)gl...)
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 Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay