BDBM53072 (5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-thioxo-thiazolidin-4-one::(5Z)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one::(5Z)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-3-prop-2-enyl-2-sulfanylidene-4-thiazolidinone::3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-thioxo-thiazolidin-4-one::MLS001210616::SMR000505156::cid_3094418

SMILES CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O

InChI Key InChIKey=LEEYYBLQYWKAAT-UHFFFAOYSA-N

Data  6 KI  14 IC50  5 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 53072   

TargetReceptor-type tyrosine-protein phosphatase F(Human)
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataIC50: 3.69E+4nMAssay Description:Inhibition of GST-tagged LAR (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetPapain(Papaya)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataIC50: 8.98E+4nMAssay Description:Inhibition of papaya papain using N-alpha-benzoyl-L-arginine-pnitroanilide as substrate after 5 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataIC50: 2.27E+5nMAssay Description:Inhibition of SARS-CoV 3CLpro expressed in Escherichia coli BL21 (DE3) using Dabcyl-KNSTLQSGLRKE-Edan as substrate after 60 mins by FRET analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataIC50: 4.52E+4nMAssay Description:Inhibition of wild type GST-tagged full-length SHP2 (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataIC50: 2.25E+4nMAssay Description:Inhibition of GST-tagged SHP2 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 6(Human)
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataIC50: 3.95E+4nMAssay Description:Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataIC50: 3.35E+4nMAssay Description:Inhibition of GST-tagged PTP1B (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein phosphatase C(Human)
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataIC50: 4.14E+4nMAssay Description:Inhibition of GST-tagged CD45 (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetPOsterior Segregation(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataEC50:  1.61E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 9(Human)
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataIC50: 5.94E+4nMAssay Description:Inhibition of GST-tagged MEG2 (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataIC50: 5.57E+4nMAssay Description:Inhibition of GST-tagged TC-PTP (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetSignal transducer and activator of transcription 3(Human)
University of Southern California

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataIC50: 4.60E+3nMAssay Description:Inhibition of STAT3 expressed in human HCT116 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataIC50: 1.01E+4nMAssay Description:Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataIC50: 8.76E+4nMAssay Description:Inhibition of SARS-CoV PLpro deubiququitination expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataIC50: 800nMAssay Description:Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 30 mins by fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetEndoribonuclease toxin MazF(Escherichia coli (strain K12))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataEC50: >9.90E+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 Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay
TargetEndoribonuclease toxin MazF(Escherichia coli (strain K12))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataEC50:  5.61E+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 Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay
TargetImportin subunit alpha-1(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataEC50: >5.00E+5nMAssay Description:Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetZinc finger protein mex-5(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataEC50:  9.69E+3nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetCocaine esterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataKi:  141nMAssay Description:Inhibition of human iCE using o-NPA as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCocaine esterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataKi:  290nMAssay Description:Inhibition of human iCE using CPT-11 as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetLiver carboxylesterase 1(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataKi:  544nMAssay Description:Inhibition of human CE1 using o-NPA as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataKi:  6.41E+3nMAssay Description:Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataKi:  9.00E+3nMAssay Description:Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM53072(3-Allyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-th...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed