BDBM50257 3-[[(E)-(3-methyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-(phenoxymethyl)quinazolin-4-one::3-[[(E)-(3-methyl-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-2-(phenoxymethyl)-4-quinazolinone::3-[[(E)-(3-methyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-(phenoxymethyl)quinazolin-4-one::3-[[(E)-(6-keto-3-methyl-5-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-(phenoxymethyl)quinazolin-4-one::3-{[1-(2-Hydroxy-5-methyl-3-nitro-phenyl)-meth-(E)-ylidene]-amino}-2-phenoxymethyl-3H-quinazolin-4-one::MLS000590901::SMR000217733::cid_6514446

SMILES CC1=CC(\C=N\n2c(COc3ccccc3)nc3ccccc3c2=O)C(=O)C(=C1)[N+]([O-])=O

InChI Key InChIKey=UAIQINXXMZVHRB-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 = 50257   

LigandPNGBDBM50257(3-[[(E)-(3-methyl-5-nitro-6-oxocyclohexa-2,4-dien-...)
Affinity DataIC50: 1.64E+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
TargetCysteine protease ATG4B(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50257(3-[[(E)-(3-methyl-5-nitro-6-oxocyclohexa-2,4-dien-...)
Affinity DataIC50: 1.72E+4nMAssay 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:
8/3/2011
Entry Details
PCBioAssay
TargetPhospholipase A2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50257(3-[[(E)-(3-methyl-5-nitro-6-oxocyclohexa-2,4-dien-...)
Affinity DataIC50: 1.31E+4nMAssay 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:
1/5/2012
Entry Details
PCBioAssay
TargetCysteine protease ATG4B(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50257(3-[[(E)-(3-methyl-5-nitro-6-oxocyclohexa-2,4-dien-...)
Affinity DataIC50: 2.28E+4nMAssay 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:
1/6/2012
Entry Details
PCBioAssay
TargetPhospholipase A2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50257(3-[[(E)-(3-methyl-5-nitro-6-oxocyclohexa-2,4-dien-...)
Affinity DataIC50: 1.05E+4nMAssay 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:
1/6/2012
Entry Details
PCBioAssay