BDBM54430 2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile::2-[(4-methylphenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile::2-[(4-methylphenyl)methylthio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile::4-hydroxy-2-[(4-methylbenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile::4-keto-2-[(4-methylbenzyl)thio]-6-phenyl-1H-pyrimidine-5-carbonitrile::MLS001195390::SMR000550590::cid_1471860

SMILES Cc1ccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1

InChI Key InChIKey=IGLLWSDXUQFYMI-UHFFFAOYSA-N

Data  7 IC50  1 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 8 hits for monomerid = 54430   

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

Curated by PubChem BioAssay
LigandPNGBDBM54430(MLS001195390 | cid_1471860 | 2-[(4-methylphenyl)me...)
Affinity DataIC50: 1.29E+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:
6/5/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54430(MLS001195390 | cid_1471860 | 2-[(4-methylphenyl)me...)
Affinity DataEC50:  9.39E+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 Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54430(MLS001195390 | cid_1471860 | 2-[(4-methylphenyl)me...)
Affinity DataIC50: 5.50E+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 Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54430(MLS001195390 | cid_1471860 | 2-[(4-methylphenyl)me...)
Affinity DataIC50: 6.90E+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 Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54430(MLS001195390 | cid_1471860 | 2-[(4-methylphenyl)me...)
Affinity DataIC50: 8.20E+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 Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54430(MLS001195390 | cid_1471860 | 2-[(4-methylphenyl)me...)
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 Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetCysteine protease ATG4B(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54430(MLS001195390 | cid_1471860 | 2-[(4-methylphenyl)me...)
Affinity DataIC50: 7.62E+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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetPhospholipase A2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54430(MLS001195390 | cid_1471860 | 2-[(4-methylphenyl)me...)
Affinity DataIC50: 2.12E+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