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SMILES: Cc1nc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cs1

InChI Key: InChIKey=LELRIWOVACJYND-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50342910   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50342910
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylthiazol-4...)
Show SMILES Cc1nc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cs1
Show InChI InChI=1S/C20H16N4O2S/c1-12-24-15(9-27-12)8-21-20-16-6-13(2-4-17(16)22-10-23-20)14-3-5-18-19(7-14)26-11-25-18/h2-7,9-10H,8,11H2,1H3,(H,21,22,23)
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n/an/a 1.33E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk2 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50342910
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylthiazol-4...)
Show SMILES Cc1nc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cs1
Show InChI InChI=1S/C20H16N4O2S/c1-12-24-15(9-27-12)8-21-20-16-6-13(2-4-17(16)22-10-23-20)14-3-5-18-19(7-14)26-11-25-18/h2-7,9-10H,8,11H2,1H3,(H,21,22,23)
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n/an/a 1.51E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1B kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Homo sapiens (Human))
BDBM50342910
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylthiazol-4...)
Show SMILES Cc1nc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cs1
Show InChI InChI=1S/C20H16N4O2S/c1-12-24-15(9-27-12)8-21-20-16-6-13(2-4-17(16)22-10-23-20)14-3-5-18-19(7-14)26-11-25-18/h2-7,9-10H,8,11H2,1H3,(H,21,22,23)
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n/an/a 7.45E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk3 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma


(Homo sapiens (Human))
BDBM50342910
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylthiazol-4...)
Show SMILES Cc1nc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cs1
Show InChI InChI=1S/C20H16N4O2S/c1-12-24-15(9-27-12)8-21-20-16-6-13(2-4-17(16)22-10-23-20)14-3-5-18-19(7-14)26-11-25-18/h2-7,9-10H,8,11H2,1H3,(H,21,22,23)
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n/an/an/a 280n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PIP5K2C


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50342910
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylthiazol-4...)
Show SMILES Cc1nc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cs1
Show InChI InChI=1S/C20H16N4O2S/c1-12-24-15(9-27-12)8-21-20-16-6-13(2-4-17(16)22-10-23-20)14-3-5-18-19(7-14)26-11-25-18/h2-7,9-10H,8,11H2,1H3,(H,21,22,23)
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n/an/an/a 380n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human Clk2


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50342910
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylthiazol-4...)
Show SMILES Cc1nc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cs1
Show InChI InChI=1S/C20H16N4O2S/c1-12-24-15(9-27-12)8-21-20-16-6-13(2-4-17(16)22-10-23-20)14-3-5-18-19(7-14)26-11-25-18/h2-7,9-10H,8,11H2,1H3,(H,21,22,23)
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n/an/a 206n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342910
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylthiazol-4...)
Show SMILES Cc1nc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cs1
Show InChI InChI=1S/C20H16N4O2S/c1-12-24-15(9-27-12)8-21-20-16-6-13(2-4-17(16)22-10-23-20)14-3-5-18-19(7-14)26-11-25-18/h2-7,9-10H,8,11H2,1H3,(H,21,22,23)
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n/an/an/a 43n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human Clk4


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50342910
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylthiazol-4...)
Show SMILES Cc1nc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cs1
Show InChI InChI=1S/C20H16N4O2S/c1-12-24-15(9-27-12)8-21-20-16-6-13(2-4-17(16)22-10-23-20)14-3-5-18-19(7-14)26-11-25-18/h2-7,9-10H,8,11H2,1H3,(H,21,22,23)
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n/an/an/a 50n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human Clk1


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50342910
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylthiazol-4...)
Show SMILES Cc1nc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cs1
Show InChI InChI=1S/C20H16N4O2S/c1-12-24-15(9-27-12)8-21-20-16-6-13(2-4-17(16)22-10-23-20)14-3-5-18-19(7-14)26-11-25-18/h2-7,9-10H,8,11H2,1H3,(H,21,22,23)
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n/an/an/a 82n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human Dyrk1A


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50342910
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylthiazol-4...)
Show SMILES Cc1nc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cs1
Show InChI InChI=1S/C20H16N4O2S/c1-12-24-15(9-27-12)8-21-20-16-6-13(2-4-17(16)22-10-23-20)14-3-5-18-19(7-14)26-11-25-18/h2-7,9-10H,8,11H2,1H3,(H,21,22,23)
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n/an/a 96n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk1 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50342910
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylthiazol-4...)
Show SMILES Cc1nc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cs1
Show InChI InChI=1S/C20H16N4O2S/c1-12-24-15(9-27-12)8-21-20-16-6-13(2-4-17(16)22-10-23-20)14-3-5-18-19(7-14)26-11-25-18/h2-7,9-10H,8,11H2,1H3,(H,21,22,23)
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n/an/a 40n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay


Bioorg Med Chem Lett 21: 3152-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.114
BindingDB Entry DOI: 10.7270/Q2J67H83
More data for this
Ligand-Target Pair