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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 325.7
BDBM50435483
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 7 hits in this display   
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))
BDBM50435483
PNG
(CHEMBL1899640)
Show SMILES Clc1ccc(Nc2nccc(n2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C17H12ClN3O2/c18-12-2-4-13(5-3-12)20-17-19-8-7-14(21-17)11-1-6-15-16(9-11)23-10-22-15/h1-9H,10H2,(H,19,20,21)
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Article
PubMed
n/an/a 273n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50435483
PNG
(CHEMBL1899640)
Show SMILES Clc1ccc(Nc2nccc(n2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C17H12ClN3O2/c18-12-2-4-13(5-3-12)20-17-19-8-7-14(21-17)11-1-6-15-16(9-11)23-10-22-15/h1-9H,10H2,(H,19,20,21)
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 370n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK4 (unknown origin) by bioluminescence assay


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50435483
PNG
(CHEMBL1899640)
Show SMILES Clc1ccc(Nc2nccc(n2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C17H12ClN3O2/c18-12-2-4-13(5-3-12)20-17-19-8-7-14(21-17)11-1-6-15-16(9-11)23-10-22-15/h1-9H,10H2,(H,19,20,21)
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 520n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) by bioluminescence assay


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50435483
PNG
(CHEMBL1899640)
Show SMILES Clc1ccc(Nc2nccc(n2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C17H12ClN3O2/c18-12-2-4-13(5-3-12)20-17-19-8-7-14(21-17)11-1-6-15-16(9-11)23-10-22-15/h1-9H,10H2,(H,19,20,21)
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antibodypedia
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Article
PubMed
n/an/a 884n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1B (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50435483
PNG
(CHEMBL1899640)
Show SMILES Clc1ccc(Nc2nccc(n2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C17H12ClN3O2/c18-12-2-4-13(5-3-12)20-17-19-8-7-14(21-17)11-1-6-15-16(9-11)23-10-22-15/h1-9H,10H2,(H,19,20,21)
PDB
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50435483
PNG
(CHEMBL1899640)
Show SMILES Clc1ccc(Nc2nccc(n2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C17H12ClN3O2/c18-12-2-4-13(5-3-12)20-17-19-8-7-14(21-17)11-1-6-15-16(9-11)23-10-22-15/h1-9H,10H2,(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.45E+3n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK4 (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50435483
PNG
(CHEMBL1899640)
Show SMILES Clc1ccc(Nc2nccc(n2)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C17H12ClN3O2/c18-12-2-4-13(5-3-12)20-17-19-8-7-14(21-17)11-1-6-15-16(9-11)23-10-22-15/h1-9H,10H2,(H,19,20,21)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK2 (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair