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-OWBHPGMISA-N

Data  6 KI  14 IC50  5 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 14 hits for monomerid = 53072   

TargetReplicase polyprotein 1a(Human SARS coronavirus (SARS-CoV))
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM53072((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1a(Human SARS coronavirus (SARS-CoV))
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM53072((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
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 DepthDetails ArticlePubMed
TargetSignal transducer and activator of transcription 3(Homo sapiens (Human))
University Of Southern California

Curated by ChEMBL
LigandPNGBDBM53072((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
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 DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Homo sapiens (Human))
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM53072((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
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 DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 9(Homo sapiens (Human))
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM53072((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
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 DepthDetails ArticlePubMed
TargetReceptor-type tyrosine-protein phosphatase F(Homo sapiens (Human))
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM53072((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
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 DepthDetails ArticlePubMed
TargetReceptor-type tyrosine-protein phosphatase C(Homo sapiens (Human))
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM53072((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
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 DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM53072((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
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 DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 6(Homo sapiens (Human))
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM53072((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
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 DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM53072((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
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 DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Case Western Reserve University

Curated by ChEMBL
LigandPNGBDBM53072((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1a(Human SARS coronavirus (SARS-CoV))
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM53072((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
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 DepthDetails ArticlePubMed
TargetReplicase polyprotein 1a(Human SARS coronavirus (SARS-CoV))
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM53072((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
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 DepthDetails ArticlePubMed
TargetPapain(Carica papaya)
Korea Research Institute Of Bioscience And Biotechnology

Curated by ChEMBL
LigandPNGBDBM53072((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
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 DepthDetails ArticlePubMed