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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 278.3
BDBM50272192

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

Found 6 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
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50272192
PNG
(4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(1...)
Show SMILES Cc1cc(ccc1O)-c1cc(nc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)
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n/an/a 1.40n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50272192
PNG
(4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(1...)
Show SMILES Cc1cc(ccc1O)-c1cc(nc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)
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n/an/a 3n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CDC7-DBF4 (unknown origin)


Bioorg Med Chem Lett 18: 4482-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.061
BindingDB Entry DOI: 10.7270/Q2319VPM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50272192
PNG
(4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(1...)
Show SMILES Cc1cc(ccc1O)-c1cc(nc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)
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n/an/a 17.2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta expressed in baculovirus infected SF9 cells after 60 mins


Bioorg Med Chem Lett 21: 1429-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.017
BindingDB Entry DOI: 10.7270/Q2KH0NNF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50272192
PNG
(4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(1...)
Show SMILES Cc1cc(ccc1O)-c1cc(nc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)
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n/an/a 210n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CLK1


Bioorg Med Chem Lett 21: 1429-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.017
BindingDB Entry DOI: 10.7270/Q2KH0NNF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50272192
PNG
(4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(1...)
Show SMILES Cc1cc(ccc1O)-c1cc(nc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)
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n/an/a 332n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 3727-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.024
BindingDB Entry DOI: 10.7270/Q20C4WS0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50272192
PNG
(4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(1...)
Show SMILES Cc1cc(ccc1O)-c1cc(nc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)
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n/an/a>5.28E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta expressed in CHO AA8 cells co-expressing human tau protein after 2 hrs


Bioorg Med Chem Lett 21: 1429-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.017
BindingDB Entry DOI: 10.7270/Q2KH0NNF
More data for this
Ligand-Target Pair