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Compile Data Set for Download or QSAR

Found 12 hits of ic50 for monomerid = 50166076   
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
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50166076
PNG
(CHEMBL3799585)
Show SMILES CCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
Show InChI InChI=1S/C20H18N4O3/c1-2-5-16(25)21-11-8-9-15-13(10-11)17(20(26)23-15)19-18(24-27)12-6-3-4-7-14(12)22-19/h3-4,6-10,22,27H,2,5H2,1H3,(H,21,25)(H,23,26)/b19-17-,24-18+
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n/an/a 10n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DRAK2 (unknown origin) using MRLC3 peptide as substrate incubated for 2 hrs by ADP-Glo kinase assay


Bioorg Med Chem Lett 26: 2719-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.111
BindingDB Entry DOI: 10.7270/Q2N29ZTZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50166076
PNG
(CHEMBL3799585)
Show SMILES CCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
Show InChI InChI=1S/C20H18N4O3/c1-2-5-16(25)21-11-8-9-15-13(10-11)17(20(26)23-15)19-18(24-27)12-6-3-4-7-14(12)22-19/h3-4,6-10,22,27H,2,5H2,1H3,(H,21,25)(H,23,26)/b19-17-,24-18+
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n/an/a 12n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DRAK1 (unknown origin)


Bioorg Med Chem Lett 26: 2719-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.111
BindingDB Entry DOI: 10.7270/Q2N29ZTZ
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50166076
PNG
(CHEMBL3799585)
Show SMILES CCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
Show InChI InChI=1S/C20H18N4O3/c1-2-5-16(25)21-11-8-9-15-13(10-11)17(20(26)23-15)19-18(24-27)12-6-3-4-7-14(12)22-19/h3-4,6-10,22,27H,2,5H2,1H3,(H,21,25)(H,23,26)/b19-17-,24-18+
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n/an/a 510n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DAPK3 (unknown origin)


Bioorg Med Chem Lett 26: 2719-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.111
BindingDB Entry DOI: 10.7270/Q2N29ZTZ
More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(Homo sapiens (Human))
BDBM50166076
PNG
(CHEMBL3799585)
Show SMILES CCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
Show InChI InChI=1S/C20H18N4O3/c1-2-5-16(25)21-11-8-9-15-13(10-11)17(20(26)23-15)19-18(24-27)12-6-3-4-7-14(12)22-19/h3-4,6-10,22,27H,2,5H2,1H3,(H,21,25)(H,23,26)/b19-17-,24-18+
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n/an/a 510n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DAPK1 (unknown origin)


Bioorg Med Chem Lett 26: 2719-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.111
BindingDB Entry DOI: 10.7270/Q2N29ZTZ
More data for this
Ligand-Target Pair
Death-associated protein kinase 2


(Homo sapiens (Human))
BDBM50166076
PNG
(CHEMBL3799585)
Show SMILES CCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
Show InChI InChI=1S/C20H18N4O3/c1-2-5-16(25)21-11-8-9-15-13(10-11)17(20(26)23-15)19-18(24-27)12-6-3-4-7-14(12)22-19/h3-4,6-10,22,27H,2,5H2,1H3,(H,21,25)(H,23,26)/b19-17-,24-18+
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n/an/a 590n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DAPK2 (unknown origin)


Bioorg Med Chem Lett 26: 2719-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.111
BindingDB Entry DOI: 10.7270/Q2N29ZTZ
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50166076
PNG
(CHEMBL3799585)
Show SMILES CCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
Show InChI InChI=1S/C20H18N4O3/c1-2-5-16(25)21-11-8-9-15-13(10-11)17(20(26)23-15)19-18(24-27)12-6-3-4-7-14(12)22-19/h3-4,6-10,22,27H,2,5H2,1H3,(H,21,25)(H,23,26)/b19-17-,24-18+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of MELK (unknown origin) using peptide substrate incubated for 30 mins by europium donor dye-based plate reader analysis


Bioorg Med Chem Lett 26: 2719-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.111
BindingDB Entry DOI: 10.7270/Q2N29ZTZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50166076
PNG
(CHEMBL3799585)
Show SMILES CCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
Show InChI InChI=1S/C20H18N4O3/c1-2-5-16(25)21-11-8-9-15-13(10-11)17(20(26)23-15)19-18(24-27)12-6-3-4-7-14(12)22-19/h3-4,6-10,22,27H,2,5H2,1H3,(H,21,25)(H,23,26)/b19-17-,24-18+
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n/an/a 8.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR (746 to 750) deletion mutant (unknown origin) using peptide substrate incubated for 30 mins by europium donor dye-based plate read...


Bioorg Med Chem Lett 26: 2719-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.111
BindingDB Entry DOI: 10.7270/Q2N29ZTZ
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))
BDBM50166076
PNG
(CHEMBL3799585)
Show SMILES CCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
Show InChI InChI=1S/C20H18N4O3/c1-2-5-16(25)21-11-8-9-15-13(10-11)17(20(26)23-15)19-18(24-27)12-6-3-4-7-14(12)22-19/h3-4,6-10,22,27H,2,5H2,1H3,(H,21,25)(H,23,26)/b19-17-,24-18+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of AcK1 (unknown origin) using peptide substrate incubated for 30 mins by europium donor dye-based plate reader analysis


Bioorg Med Chem Lett 26: 2719-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.111
BindingDB Entry DOI: 10.7270/Q2N29ZTZ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50166076
PNG
(CHEMBL3799585)
Show SMILES CCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
Show InChI InChI=1S/C20H18N4O3/c1-2-5-16(25)21-11-8-9-15-13(10-11)17(20(26)23-15)19-18(24-27)12-6-3-4-7-14(12)22-19/h3-4,6-10,22,27H,2,5H2,1H3,(H,21,25)(H,23,26)/b19-17-,24-18+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins by europium donor dye-based plate reader analysis


Bioorg Med Chem Lett 26: 2719-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.111
BindingDB Entry DOI: 10.7270/Q2N29ZTZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50166076
PNG
(CHEMBL3799585)
Show SMILES CCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
Show InChI InChI=1S/C20H18N4O3/c1-2-5-16(25)21-11-8-9-15-13(10-11)17(20(26)23-15)19-18(24-27)12-6-3-4-7-14(12)22-19/h3-4,6-10,22,27H,2,5H2,1H3,(H,21,25)(H,23,26)/b19-17-,24-18+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using peptide substrate incubated for 30 mins by europium donor dye-based plate reader analysis


Bioorg Med Chem Lett 26: 2719-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.111
BindingDB Entry DOI: 10.7270/Q2N29ZTZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50166076
PNG
(CHEMBL3799585)
Show SMILES CCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
Show InChI InChI=1S/C20H18N4O3/c1-2-5-16(25)21-11-8-9-15-13(10-11)17(20(26)23-15)19-18(24-27)12-6-3-4-7-14(12)22-19/h3-4,6-10,22,27H,2,5H2,1H3,(H,21,25)(H,23,26)/b19-17-,24-18+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using peptide substrate incubated for 30 mins by europium donor dye-based plate reader analysis


Bioorg Med Chem Lett 26: 2719-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.111
BindingDB Entry DOI: 10.7270/Q2N29ZTZ
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50166076
PNG
(CHEMBL3799585)
Show SMILES CCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
Show InChI InChI=1S/C20H18N4O3/c1-2-5-16(25)21-11-8-9-15-13(10-11)17(20(26)23-15)19-18(24-27)12-6-3-4-7-14(12)22-19/h3-4,6-10,22,27H,2,5H2,1H3,(H,21,25)(H,23,26)/b19-17-,24-18+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of IRK (unknown origin) using peptide substrate incubated for 30 mins by europium donor dye-based plate reader analysis


Bioorg Med Chem Lett 26: 2719-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.111
BindingDB Entry DOI: 10.7270/Q2N29ZTZ
More data for this
Ligand-Target Pair