BDBM54768 2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylamino]-2-methyl-propane-1-sulfonate::2-[3-[2-hydroxyethyl(dimethyl)azaniumyl]propanoylamino]-2-methyl-propane-1-sulfonate::2-[3-[2-hydroxyethyl(dimethyl)azaniumyl]propanoylamino]-2-methylpropane-1-sulfonate::2-[[3-[2-hydroxyethyl(dimethyl)ammonio]-1-oxopropyl]amino]-2-methyl-1-propanesulfonate::MLS000554255::SMR000146572::US20230364057, Compound 42::cid_1973720

SMILES CC(C)(CS([O-])(=O)=O)NC(=O)CC[N+](C)(C)CCO

InChI Key InChIKey=LUUUARBSUWGBDK-UHFFFAOYSA-N

Data  13 IC50  3 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 16 hits for monomerid = 54768   

TargetTyrosine-protein phosphatase non-receptor type 22(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54768(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Affinity DataIC50:  4.28E+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
TargetDNA gyrase inhibitor()
The Florida International University Board Of Trustees

US Patent
LigandPNGBDBM54768(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Affinity DataIC50:  2.18E+3nMAssay Description:SDFQ HTS primary assay using pAB1_FL905 was performed in 2 µL of (1 xDNA gyrase buffer: 20 mM Tris-Acetate pH 7.9, 50 mM KAc, 10 mM MgCl2, 2 mM DTT, ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein phosphatase non-receptor type 22(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54768(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Affinity DataIC50:  1.09E+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
TargetMu-type opioid receptor(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54768(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Affinity DataIC50:  2.46E+3nMAssay 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
TargetTrans-activator protein BZLF1(Human herpesvirus 4)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54768(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Affinity DataIC50: >6.70E+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
TargetTyrosine-protein phosphatase non-receptor type 22(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54768(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Affinity DataIC50:  5.97E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 7(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54768(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Affinity DataIC50:  1.79E+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
TargetTyrosine-protein phosphatase non-receptor type 22(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54768(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Affinity DataIC50:  4.08E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-adrenergic receptor kinase 1(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54768(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Affinity DataEC50:  670nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54768(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Affinity DataIC50:  453nMAssay 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
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54768(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Affinity DataEC50: >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
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54768(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Affinity DataEC50:  1.16E+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
TargetDNA (cytosine-5)-methyltransferase 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54768(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Affinity DataIC50:  3.60E+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
TargetPC4 and SFRS1-interacting protein(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54768(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Affinity DataIC50:  1.92E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPC4 and SFRS1-interacting protein(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54768(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Affinity DataIC50:  3.06E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 7(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54768(2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...)
Affinity DataIC50:  2.86E+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