BDBM68047 3-methyl-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]thiophene-2,4-dicarboxylic acid diethyl ester::3-methyl-5-[N'-(2,4,6-triketohexahydropyrimidin-5-ylidene)hydrazino]thiophene-2,4-dicarboxylic acid diethyl ester::MLS000416315::SMR000264197::cid_5563065::diethyl 3-methyl-5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]thiophene-2,4-dicarboxylate::diethyl 3-methyl-5-[2-[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]hydrazinyl]thiophene-2,4-dicarboxylate

SMILES [#6]-[#6]-[#8]-[#6](=O)-c1sc(-[#7]\[#7]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c(-[#6](=O)-[#8]-[#6]-[#6])c1-[#6]

InChI Key InChIKey=JFFOPVOVPIEONZ-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 = 68047   

TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68047(MLS000416315 | diethyl 3-methyl-5-[2-(2,4,6-trioxo...)
Affinity DataIC50: 4.96E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68047(MLS000416315 | diethyl 3-methyl-5-[2-(2,4,6-trioxo...)
Affinity DataIC50: 4.96E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68047(MLS000416315 | diethyl 3-methyl-5-[2-(2,4,6-trioxo...)
Affinity DataIC50: 1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay