BDBM31044 1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione::1-ethyl-6-methyl-3-(2-thienyl)pyrimido[5,4-e][1,2,4]triazine-5,7-quinone::1-ethyl-6-methyl-3-thiophen-2-yl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione::1-ethyl-6-methyl-3-thiophen-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione::MLS000033110::SMR000008918::US9073941, 610::cid_653297
SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
InChI Key InChIKey=DMDNERFCUCYCGM-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 45 hits for monomerid = 31044
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: 421nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
Affinity DataEC50: 5.10E+3nMAssay Description:Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: 629nMpH: 7.4 T: 2°CAssay Description:To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...More data for this Ligand-Target Pair
Affinity DataKd: 365nMAssay Description:AlphaScreen technology based high-throughput (ALPHA) assay is used to identify inhibitors of Hsp90-TPR2A interaction.More data for this Ligand-Target Pair
Affinity DataKd: 308nMpH: 8.0Assay Description:A fluorescence polarization (FP) assay monitor the fluorescein-labeled C-terminal Hsp90 peptide-TPRA interaction. FP assay will also confirm binding...More data for this Ligand-Target Pair
Affinity DataEC50: 1.21E+3nMT: 2°CAssay Description:Cell assay using BT474, SKBR3 and MCF-12F cell lines measured by WST-1 colorimetric cell proliferation assay.More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: 158nMpH: 7.0 T: 2°CAssay Description:The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...More data for this Ligand-Target Pair
Affinity DataIC50: 72.2nMpH: 6.8 T: 2°CAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
Affinity DataIC50: 7.67E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: >5.00E+4nMAssay Description:The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...More data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataEC50: 1.23E+4nMAssay 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
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: >5.00E+4nMAssay Description:The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: 1.24E+3nMAssay Description:The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit...More data for this Ligand-Target Pair
Affinity DataIC50: 2.59E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataEC50: >1.00E+4nMAssay 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
TargetDiphosphomevalonate decarboxylase(Streptococcus pneumoniae D39)
Srmlsc
Curated by PubChem BioAssay
Srmlsc
Curated by PubChem BioAssay
Affinity DataIC50: 4.73E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: 103nMAssay Description:The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...More data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataEC50: 3.18E+4nMAssay 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
Affinity DataIC50: 1.53E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: 815nMAssay Description:External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...More data for this Ligand-Target Pair
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: 1.61E+3nMAssay 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
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: 2.19E+3nMAssay 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
Affinity DataIC50: 72.2nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
Affinity DataIC50: 309nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
Affinity DataIC50: 257nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: 1.72E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT has been developed to assess actives that were identified in the Cdc25B HTS ...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: 421nMAssay Description:The Cdc25B Phosphatase probe assessment dose response reproducibility assay has been developed to re-confirm actives that were identified in the Cdc2...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: >5.00E+4nMAssay Description:The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: 445nMAssay Description:The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: 542nMAssay Description:The Cdc25B Phosphatase HTS dose response confirmation has been developed to confirm actives identified in the Cdc25B HTS AID 368, screened at the Uni...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: >5.00E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response assay in Catalase has been developed to assess actives that were identified in the Cdc25B HTS A...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: >5.00E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT with Catalase has been developed to assess actives that were identified in t...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: 4.18E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response assay in Beta-Mercaptoethanol (BME) has been developed to assess actives that were identified i...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: >5.00E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response assay in Glutathione (GSH) has been developed to assess actives that were identified in the Cdc...More data for this Ligand-Target Pair
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: 3.48E+3nMAssay 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
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: 629nMAssay Description:The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: 333nMAssay Description:The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: 552nMAssay Description:The MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PT...More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Emory University
Curated by PubChem BioAssay
Emory University
Curated by PubChem BioAssay
Affinity DataIC50: <1.88E+3nMAssay Description:Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...More data for this Ligand-Target Pair
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
Affinity DataIC50: 2.65E+3nMAssay 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
Affinity DataIC50: >5.00E+4nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University Of Pittsburgh
Curated by PubChem BioAssay
University Of Pittsburgh
Curated by PubChem BioAssay
Affinity DataIC50: 1.98E+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
Affinity DataIC50: <40nMpH: 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
TargetDihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex(Mycobacterium tuberculosis)
Academia Sinica
US Patent
Academia Sinica
US Patent
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
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Emory University
Curated by PubChem BioAssay
Emory University
Curated by PubChem BioAssay
Affinity DataIC50: 5.00E+3nMpH: 7.4 T: 2°CAssay Description:A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...More data for this Ligand-Target Pair