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Compile Data Set for Download or QSAR

Found 7 hits of kd for monomerid = 50302986   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50302986
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiophen-2-ylmethy...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccs1
Show InChI InChI=1S/C20H15N3O2S/c1-2-15(26-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)25-12-24-18/h1-9,11H,10,12H2,(H,21,22,23)
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n/an/an/a 27n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Dyrk1A assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
BindingDB Entry DOI: 10.7270/Q2S46S1C
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50302986
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiophen-2-ylmethy...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccs1
Show InChI InChI=1S/C20H15N3O2S/c1-2-15(26-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)25-12-24-18/h1-9,11H,10,12H2,(H,21,22,23)
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n/an/an/a 37n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Clk1 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
BindingDB Entry DOI: 10.7270/Q2S46S1C
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50302986
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiophen-2-ylmethy...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccs1
Show InChI InChI=1S/C20H15N3O2S/c1-2-15(26-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)25-12-24-18/h1-9,11H,10,12H2,(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 Clk4 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
BindingDB Entry DOI: 10.7270/Q2S46S1C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50302986
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiophen-2-ylmethy...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccs1
Show InChI InChI=1S/C20H15N3O2S/c1-2-15(26-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)25-12-24-18/h1-9,11H,10,12H2,(H,21,22,23)
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n/an/an/a 230n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to EGFR assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
BindingDB Entry DOI: 10.7270/Q2S46S1C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50302986
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiophen-2-ylmethy...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccs1
Show InChI InChI=1S/C20H15N3O2S/c1-2-15(26-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)25-12-24-18/h1-9,11H,10,12H2,(H,21,22,23)
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n/an/an/a 430n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Dyrk1B assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
BindingDB Entry DOI: 10.7270/Q2S46S1C
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Homo sapiens (Human))
BDBM50302986
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiophen-2-ylmethy...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccs1
Show InChI InChI=1S/C20H15N3O2S/c1-2-15(26-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)25-12-24-18/h1-9,11H,10,12H2,(H,21,22,23)
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PubMed
n/an/an/a 470n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Clk3 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
BindingDB Entry DOI: 10.7270/Q2S46S1C
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50302986
PNG
(6-(benzo[d][1,3]dioxol-5-yl)-N-(thiophen-2-ylmethy...)
Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccs1
Show InChI InChI=1S/C20H15N3O2S/c1-2-15(26-7-1)10-21-20-16-8-13(3-5-17(16)22-11-23-20)14-4-6-18-19(9-14)25-12-24-18/h1-9,11H,10,12H2,(H,21,22,23)
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PC cid
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Article
PubMed
n/an/an/a 680n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Clk2 assessed as dissociation constant


Bioorg Med Chem Lett 19: 6700-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.121
BindingDB Entry DOI: 10.7270/Q2S46S1C
More data for this
Ligand-Target Pair