BDBM59083 MLS002154065::SMR001233380::THONZONIUM BROMIDE::Thonzonium::cid_11102

SMILES CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1

InChI Key InChIKey=IOYZYMQFUSNATM-UHFFFAOYSA-N

Data  1 KI  6 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 59083   

TargetAcid phosphatase(Francisella tularensis)
University Of Florida

LigandPNGBDBM59083(MLS002154065 | SMR001233380 | THONZONIUM BROMIDE |...)
Affinity DataKi:  590nMAssay Description:The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase 33(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM59083(MLS002154065 | SMR001233380 | THONZONIUM BROMIDE |...)
Affinity DataEC50:  3.58E+4nMAssay Description:Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59083(MLS002154065 | SMR001233380 | THONZONIUM BROMIDE |...)
Affinity DataIC50:  2.99E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBcl-2-related protein A1(Mus musculus (Mouse))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59083(MLS002154065 | SMR001233380 | THONZONIUM BROMIDE |...)
Affinity DataIC50:  6.44E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59083(MLS002154065 | SMR001233380 | THONZONIUM BROMIDE |...)
Affinity DataIC50:  2.86E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM59083(MLS002154065 | SMR001233380 | THONZONIUM BROMIDE |...)
Affinity DataEC50:  1.12E+4nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59083(MLS002154065 | SMR001233380 | THONZONIUM BROMIDE |...)
Affinity DataIC50:  8.37E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59083(MLS002154065 | SMR001233380 | THONZONIUM BROMIDE |...)
Affinity DataIC50: >1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM59083(MLS002154065 | SMR001233380 | THONZONIUM BROMIDE |...)
Affinity DataEC50:  1.12E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLarge T antigen(Simian virus 40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM59083(MLS002154065 | SMR001233380 | THONZONIUM BROMIDE |...)
Affinity DataEC50:  7.39E+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
TargetCaspase-9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM59083(MLS002154065 | SMR001233380 | THONZONIUM BROMIDE |...)
Affinity DataIC50:  8.45E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay