BDBM50227 3-[[(E)-(3-methyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one::3-[[(E)-(3-methyl-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-2-[(2-methylphenoxy)methyl]-4-quinazolinone::3-[[(E)-(3-methyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one::3-[[(E)-(6-keto-3-methyl-5-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one::3-{[1-(2-Hydroxy-5-methyl-3-nitro-phenyl)-meth-(E)-ylidene]-amino}-2-o-tolyloxymethyl-3H-quinazolin-4-one::MLS000591629::SMR000218732::cid_6054275

SMILES CC1=CC(\C=N\n2c(COc3ccccc3C)nc3ccccc3c2=O)C(=O)C(=C1)[N+]([O-])=O

InChI Key InChIKey=SJUYSPYPUIKGTD-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50227   

LigandPNGBDBM50227(cid_6054275 | 3-[[(E)-(3-methyl-5-nitro-6-oxidanyl...)
Affinity DataIC50: 4.58E+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
TargetT cell receptor alpha variable 4(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50227(cid_6054275 | 3-[[(E)-(3-methyl-5-nitro-6-oxidanyl...)
Affinity DataIC50: 9.41E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetAlbumin(Bovine)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50227(cid_6054275 | 3-[[(E)-(3-methyl-5-nitro-6-oxidanyl...)
Affinity DataIC50: 9.41E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay