BDBM68086 (2-amino-5-nitro-pyrimidin-4-yl)-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methyleneamino]amine::4-N-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methylideneamino]-5-nitropyrimidine-2,4-diamine::MLS000392278::N4-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-3-pyrrolyl]methylideneamino]-5-nitropyrimidine-2,4-diamine::N4-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methylideneamino]-5-nitro-pyrimidine-2,4-diamine::SMR000261265::cid_4347757

SMILES Cc1cc(CN=Nc2nc(N)ncc2[N+]([O-])=O)c(C)n1-c1cccc(c1)C(F)(F)F

InChI Key InChIKey=FJLJGGBJUQKAMF-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 = 68086   

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

Curated by PubChem BioAssay
LigandPNGBDBM68086(4-N-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]py...)
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:
7/12/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM68086(4-N-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]py...)
Affinity DataIC50: 200nMAssay 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
LigandPNGBDBM68086(4-N-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]py...)
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