BDBM47311 2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1,6-dihydro-5-pyrimidinecarbonitrile::2-[(4-chlorobenzyl)thio]-4-keto-6-(2-thienyl)-1H-pyrimidine-5-carbonitrile::2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile::2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile::2-[(4-chlorophenyl)methylthio]-4-oxo-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile::MLS000705749::SMR000231786::cid_1234393

SMILES Clc1ccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)cc1

InChI Key InChIKey=JQXFFLCVJXGBDY-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 = 47311   

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

Curated by PubChem BioAssay
LigandPNGBDBM47311(2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1...)
Affinity DataIC50:  6.99E+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
TargetSUMO-conjugating enzyme UBC9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM47311(2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1...)
Affinity DataIC50:  9.93E+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
LigandPNGBDBM47311(2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1...)
Affinity DataEC50:  4.58E+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
TargetMajor prion protein(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM47311(2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1...)
Affinity DataIC50:  1.05E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...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
LigandPNGBDBM47311(2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1...)
Affinity DataIC50:  1.15E+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
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM47311(2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1...)
Affinity DataEC50: >3.00E+5nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSUMO-activating enzyme subunit 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM47311(2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1...)
Affinity DataIC50:  1.80E+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