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PubMed code 20875738

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))
BDBM50329498
PNG
(CHEMBL1271447 | N-(6-benzyl-2-(phenethylamino)-5,6...)
Show SMILES O=S(=O)(Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C32H31N5O2S/c38-40(39,28-16-15-26-13-7-8-14-27(26)21-28)36-31-29-23-37(22-25-11-5-2-6-12-25)20-18-30(29)34-32(35-31)33-19-17-24-9-3-1-4-10-24/h1-16,21H,17-20,22-23H2,(H2,33,34,35,36)
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n/an/a 900n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of MLCK


Bioorg Med Chem Lett 20: 6696-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.005
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50329498
PNG
(CHEMBL1271447 | N-(6-benzyl-2-(phenethylamino)-5,6...)
Show SMILES O=S(=O)(Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C32H31N5O2S/c38-40(39,28-16-15-26-13-7-8-14-27(26)21-28)36-31-29-23-37(22-25-11-5-2-6-12-25)20-18-30(29)34-32(35-31)33-19-17-24-9-3-1-4-10-24/h1-16,21H,17-20,22-23H2,(H2,33,34,35,36)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 20: 6696-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.005
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50329499
PNG
(CHEMBL1270331 | N-(6-benzyl-2-(phenethylamino)-5,6...)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12
Show InChI InChI=1S/C29H30ClN5O2S/c1-21-25(30)13-8-14-27(21)38(36,37)34-28-24-20-35(19-23-11-6-3-7-12-23)18-16-26(24)32-29(33-28)31-17-15-22-9-4-2-5-10-22/h2-14H,15-20H2,1H3,(H2,31,32,33,34)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 20: 6696-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.005
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50329498
PNG
(CHEMBL1271447 | N-(6-benzyl-2-(phenethylamino)-5,6...)
Show SMILES O=S(=O)(Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C32H31N5O2S/c38-40(39,28-16-15-26-13-7-8-14-27(26)21-28)36-31-29-23-37(22-25-11-5-2-6-12-25)20-18-30(29)34-32(35-31)33-19-17-24-9-3-1-4-10-24/h1-16,21H,17-20,22-23H2,(H2,33,34,35,36)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 20: 6696-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.005
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50329499
PNG
(CHEMBL1270331 | N-(6-benzyl-2-(phenethylamino)-5,6...)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12
Show InChI InChI=1S/C29H30ClN5O2S/c1-21-25(30)13-8-14-27(21)38(36,37)34-28-24-20-35(19-23-11-6-3-7-12-23)18-16-26(24)32-29(33-28)31-17-15-22-9-4-2-5-10-22/h2-14H,15-20H2,1H3,(H2,31,32,33,34)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 20: 6696-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.005
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))
BDBM50329499
PNG
(CHEMBL1270331 | N-(6-benzyl-2-(phenethylamino)-5,6...)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12
Show InChI InChI=1S/C29H30ClN5O2S/c1-21-25(30)13-8-14-27(21)38(36,37)34-28-24-20-35(19-23-11-6-3-7-12-23)18-16-26(24)32-29(33-28)31-17-15-22-9-4-2-5-10-22/h2-14H,15-20H2,1H3,(H2,31,32,33,34)
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n/an/a 3.60E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of MLCK


Bioorg Med Chem Lett 20: 6696-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.005
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))
BDBM50329500
PNG
(4-chloro-N-(2-(phenethylamino)pyrimidin-4-yl)benze...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1ccnc(NCCc2ccccc2)n1
Show InChI InChI=1S/C18H17ClN4O2S/c19-15-6-8-16(9-7-15)26(24,25)23-17-11-13-21-18(22-17)20-12-10-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2,(H2,20,21,22,23)
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n/an/a 5.10E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of MLCK


Bioorg Med Chem Lett 20: 6696-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.005
More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens (Human))
BDBM50329499
PNG
(CHEMBL1270331 | N-(6-benzyl-2-(phenethylamino)-5,6...)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12
Show InChI InChI=1S/C29H30ClN5O2S/c1-21-25(30)13-8-14-27(21)38(36,37)34-28-24-20-35(19-23-11-6-3-7-12-23)18-16-26(24)32-29(33-28)31-17-15-22-9-4-2-5-10-22/h2-14H,15-20H2,1H3,(H2,31,32,33,34)
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n/an/a>6.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CAMK4


Bioorg Med Chem Lett 20: 6696-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.005
More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens (Human))
BDBM50329498
PNG
(CHEMBL1271447 | N-(6-benzyl-2-(phenethylamino)-5,6...)
Show SMILES O=S(=O)(Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C32H31N5O2S/c38-40(39,28-16-15-26-13-7-8-14-27(26)21-28)36-31-29-23-37(22-25-11-5-2-6-12-25)20-18-30(29)34-32(35-31)33-19-17-24-9-3-1-4-10-24/h1-16,21H,17-20,22-23H2,(H2,33,34,35,36)
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n/an/a>6.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CAMK4


Bioorg Med Chem Lett 20: 6696-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.005
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%