BDBM34737 2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one::2-(4-methylphenyl)-1,2-benzothiazol-3-one::2-(p-tolyl)-1,2-benzothiazol-3-one::MLS000583746::SMR000200989::acs.jmedchem.1c00409_ST.174::cid_935415

SMILES Cc1ccc(cc1)-n1sc2ccccc2c1=O

InChI Key InChIKey=KRXMYBAZKJBJAB-UHFFFAOYSA-N

Data  28 IC50  2 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 30 hits for monomerid = 34737   

TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  2.20E+4nMpH: 7.4 T: 2°CAssay Description:The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...More data for this Ligand-Target Pair
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TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  330nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphomannomutase 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  3.80E+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
TargetPhosphomannomutase 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50: >1.00E+5nMAssay 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
TargetPhosphoethanolamine/phosphocholine phosphatase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  1.46E+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
TargetPhosphoethanolamine/phosphocholine phosphatase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  2.28E+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
TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  4.06E+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
TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  7.04E+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
TargetM18 aspartyl aminopeptidase(Plasmodium falciparum 3D7)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  1.25E+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
TargetProcathepsin L(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50: >5.96E+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
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TargetNeutrophil cytosol factor 1 [S99G](Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  4.34E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  6.78E+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
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataEC50:  1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlucose-6-phosphate 1-dehydrogenase(Leuconostoc mesenteroides)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50: >2.50E+4nMAssay Description:Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPhosphotransferase(Trypanosoma brucei)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  2.64E+3nMAssay Description:Excerpt from MH0882340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African slee...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3G(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  1.82E+4nMT: 2°CAssay 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 dC->dU-editing enzyme APOBEC-3A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50: >1.00E+5nMT: 2°CAssay 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
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  3.01E+4nMAssay 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
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  8.63E+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
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  2.48E+4nMAssay 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
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  1.91E+4nMAssay 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
TargetProbable global transcription activator SNF2L2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataEC50:  9.12E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPhosphoethanolamine/phosphocholine phosphatase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphomannomutase 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of PMM2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of phosphomannose isomerase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  5.20E+3nMAssay Description:Inhibition of human purified phosphomannose isomeraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphomannomutase 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human purified PMM2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Nankai University

Curated by ChEMBL
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  466nMAssay Description:Inhibition of recombinant human caspase-3 using Ac-LDEVD-AMC as substrate assessed as accumulation of 7-AMC incubated for 10 mins followed by substra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5B(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of KDM5B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEukaryotic translation initiation factor 4 gamma 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM34737(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Affinity DataIC50:  1.52E+4nMAssay Description:Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay