BDBM31057 (4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]-1-cyclohexa-2,5-dienone::(4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]cyclohexa-2,5-dien-1-one::(4E)-4-[3-(2-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one::MLS000081447::SMR000043338::cid_5389565

SMILES COc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(O)c(O)c1

InChI Key InChIKey=PKVPLCVGALGTGK-UHFFFAOYSA-N

Data  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 31057   

Target5-hydroxytryptamine receptor 1A(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31057((4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]tr...)
Affinity DataIC50:  4.00E+4nMpH: 7.4 T: 23°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
In DepthDetails PCBioAssay
TargetHeat shock protein HSP 90-alpha(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM31057((4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]tr...)
Affinity DataIC50:  1.07E+4nMpH: 7.4 T: 23°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
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Target5-hydroxytryptamine receptor 1E(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31057((4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]tr...)
Affinity DataIC50:  5.00E+4nMpH: 7.4 T: 23°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
In DepthDetails PCBioAssay
TargetM17 leucyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM31057((4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]tr...)
Affinity DataIC50:  3.92E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31057((4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]tr...)
Affinity DataIC50: >5.00E+4nMAssay 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
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TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31057((4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]tr...)
Affinity DataIC50:  3.91E+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
In DepthDetails PCBioAssay
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31057((4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]tr...)
Affinity DataIC50:  1.04E+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
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TargetGag-Pol polyprotein(HIV-1)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM31057((4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]tr...)
Affinity DataIC50:  1.00E+3nMpH: 8.0 T: 23°CAssay Description:A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay