BDBM54429 4-hydroxy-6-phenyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-pyrimidinecarbonitrile::4-keto-6-phenyl-2-[[3-(trifluoromethyl)benzyl]thio]-1H-pyrimidine-5-carbonitrile::4-oxidanylidene-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidine-5-carbonitrile::4-oxo-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidine-5-carbonitrile::4-oxo-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidine-5-carbonitrile::MLS001165305::SMR000549815::cid_1471857

SMILES FC(F)(F)c1cccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1

InChI Key InChIKey=VLQLCRVTTSCBBQ-UHFFFAOYSA-N

Data  5 IC50  2 EC50

  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 7 hits for monomerid = 54429   

TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54429(4-hydroxy-6-phenyl-2-{[3-(trifluoromethyl)benzyl]s...)
Affinity DataIC50:  1.32E+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 DepthDetails PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM54429(4-hydroxy-6-phenyl-2-{[3-(trifluoromethyl)benzyl]s...)
Affinity DataEC50:  6.34E+3nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54429(4-hydroxy-6-phenyl-2-{[3-(trifluoromethyl)benzyl]s...)
Affinity DataEC50:  6.55E+3nMAssay 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 DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54429(4-hydroxy-6-phenyl-2-{[3-(trifluoromethyl)benzyl]s...)
Affinity DataIC50:  2.00E+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 DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54429(4-hydroxy-6-phenyl-2-{[3-(trifluoromethyl)benzyl]s...)
Affinity DataIC50:  7.50E+3nMAssay 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 DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54429(4-hydroxy-6-phenyl-2-{[3-(trifluoromethyl)benzyl]s...)
Affinity DataIC50:  8.05E+3nMAssay 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 DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54429(4-hydroxy-6-phenyl-2-{[3-(trifluoromethyl)benzyl]s...)
Affinity DataIC50:  6.48E+3nMAssay 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 DepthDetails PCBioAssay