BDBM80396 (1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-propanone::(1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)acetone::(1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one::CHEMBL408982::MLS000518915::SMR000129335::cid_1893667

SMILES CCN1C(Sc2ccc(OC)cc12)=CC(C)=O

InChI Key InChIKey=BGVLELSCIHASRV-UHFFFAOYSA-N

Data  12 IC50  13 Kd

PDB links: 7 PDB IDs match this monomer.

  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 25 hits for monomerid = 80396   

TargetDNA dC->dU-editing enzyme APOBEC-3A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataIC50:  2.69E+3nMT: 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
TargetDual specificity protein kinase CLK3(Mus musculus)
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of mouse Clk3Checked by AuthorMore data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK1(Mus musculus)
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataIC50:  20nMAssay Description:Inhibition of mouse Clk1Checked by AuthorMore data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK1(Homo sapiens (Human))
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataKd:  19nMAssay Description:Binding affinity to Clk1 assessed as dissociation constantMore data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataKd:  95nMAssay Description:Binding affinity to Clk2 assessed as dissociation constantMore data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK3(Homo sapiens (Human))
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataKd:  3.00E+3nMAssay Description:Binding affinity to Clk3 assessed as dissociation constantMore data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK4(Homo sapiens (Human))
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataKd:  30nMAssay Description:Binding affinity to Clk4 assessed as dissociation constantMore data for this Ligand-Target Pair
TargetCasein kinase I isoform delta(Homo sapiens (Human))
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataKd:  150nMAssay Description:Binding affinity to CSNK1D assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCasein kinase I isoform epsilon(Homo sapiens (Human))
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataKd:  300nMAssay Description:Binding affinity to CSNK1E assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCasein kinase I isoform gamma-2(Homo sapiens (Human))
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataKd:  270nMAssay Description:Binding affinity to CSNK1G2 assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCasein kinase I isoform gamma-3(Homo sapiens (Human))
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataKd:  290nMAssay Description:Binding affinity to CSNK1G3 assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataKd:  12nMAssay Description:Binding affinity to Dyrk1A assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1B(Homo sapiens (Human))
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataKd:  130nMAssay Description:Binding affinity to Dyrk1B assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase pim-1(Homo sapiens (Human))
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataKd:  130nMAssay Description:Binding affinity to PIM1 assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase pim-3(Homo sapiens (Human))
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataKd:  280nMAssay Description:Binding affinity to PIM3 assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase kinase kinase 19(Homo sapiens (Human))
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataKd:  290nMAssay Description:Binding affinity to Ysk4 assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataIC50:  12nMAssay Description:Inhibition of Dyrk1A kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataIC50:  930nMAssay Description:Inhibition of DYRK1A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase CLK4(Mus musculus)
University Of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataIC50:  15nMAssay Description:Inhibition of mouse recombinant GST-tagged CLK4 expressed in Escherichia coli DH5[alpha] using NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH as substrate by l...More data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK1(Mus musculus)
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataIC50:  20nMAssay Description:Inhibition of mouse recombinant GST-tagged CLK1 expressed in Escherichia coli DH5[alpha] using NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH as substrate by l...More data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK2(Mus musculus)
University Of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataIC50:  200nMAssay Description:Inhibition of mouse recombinant GST-tagged CLK2 expressed in Escherichia coli DH5[alpha] using NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH as substrate by l...More data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK4(Mus musculus)
University Of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataIC50:  15nMAssay Description:Inhibition of mouse Clk4Checked by AuthorMore data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK1(Mus musculus)
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataIC50:  20nMAssay Description:Inhibition of mouse Clk1Checked by AuthorMore data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK2(Mus musculus)
University Of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataIC50:  200nMAssay Description:Inhibition of mouse Clk2Checked by AuthorMore data for this Ligand-Target Pair
TargetDNA dC->dU-editing enzyme APOBEC-3G(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80396((1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylide...)
Affinity DataIC50:  2.89E+3nMT: 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