BDBM40314 3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione::3-(4-chlorophenyl)-1,6-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione::3-(4-chlorophenyl)-1,6-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-quinone::3-(4-chlorophenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione::MLS000523518::SMR000122591::US9073941, 603::cid_460749

SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1

InChI Key InChIKey=UCEGDYDPOSBUTP-UHFFFAOYSA-N

Data  16 IC50  6 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 22 hits for monomerid = 40314   

TargetGlycoprotein 42(HHV-4)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataIC50: 4.64E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetCatenin beta-1/Transcription factor 7-like 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataIC50: 300nMAssay Description:Inhibition of human TCF4/ flag epitope-tagged beta-catenin (unknown origin) interaction transfected in human HCT116 cells after 24 hrs by beta-galact...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Academia Sinica

US Patent
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataIC50: 40nMpH: 7.0Assay Description:Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetDihydrolipoyl dehydrogenase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Academia Sinica

US Patent
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataIC50: 100nMpH: 7.0Assay Description:The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataIC50: 6.35E+3nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetIsoform 2 of Nuclear receptor corepressor 2 (TRAC-1)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataIC50: 4.43E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetPhotoreceptor-specific nuclear receptor(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataIC50: 3.98E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetGlycogen synthase kinase-3 beta(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataEC50:  2.40E+4nMAssay 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
TargetG-protein coupled receptor 55(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataIC50: 7.35E+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
TargetZinc finger protein mex-5(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataEC50:  1.68E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetPOsterior Segregation(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataEC50:  1.76E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetTyrosyl-DNA phosphodiesterase 2(Human)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataEC50:  430nMAssay Description:Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTransitional endoplasmic reticulum ATPase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataIC50: 5.00E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
Target3C-like protease(Avian infectious bronchitis virus)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataIC50: 1.99E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetTransitional endoplasmic reticulum ATPase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataIC50: 5.00E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetSerine/threonine-protein kinase PLK1(Human)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataEC50: >5.00E+4nMAssay Description:List of compounds to be tested: Compounds that met the active criterion of Z-score is More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataIC50: 634nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetSerine/threonine-protein kinase PLK1(Human)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataIC50: 2.46E+3nMAssay Description:List of compounds to be tested: Compounds that met the active criterion of Z-score is More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetSerine/threonine-protein kinase PLK1(Human)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataEC50: >5.00E+4nMAssay Description:List of compounds to be tested: Compounds that met the active criterion of Z-score is More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataIC50: 996nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetMothers against decapentaplegic homolog 3(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataIC50: 39nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Human)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM40314(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of APE-1 (unknown origin) using double-stranded AP-site containing DNA as substrate after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed