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26 molecules are shown

Wt: 497.5
BDBM25979
Wt: 394.4
BDBM25980
Wt: 347.4
BDBM25981
Wt: 467.5
BDBM25982
Wt: 399.4
BDBM25983
Wt: 399.4
BDBM25984
Wt: 426.4
BDBM25985
Wt: 462.5
BDBM25986
Wt: 476.5
BDBM25987
Wt: 383.4
BDBM25988
Wt: 413.4
BDBM25989
Wt: 413.4
BDBM25990
Wt: 417.8
BDBM25991
Wt: 482.5
BDBM25992
Wt: 431.9
BDBM25993
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 25979,25980,25981,25982,25983,25984,25985,25986,25987,25988,25989,25990,25991,25992,25993   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25986
PNG
(N-(4-methanesulfonamidophenyl)-4-[2-methyl-5-(5-me...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C24H22N4O4S/c1-15-4-5-19(24-27-26-16(2)32-24)14-22(15)17-6-8-18(9-7-17)23(29)25-20-10-12-21(13-11-20)28-33(3,30)31/h4-14,28H,1-3H3,(H,25,29)
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40 -9.98 280n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25987
PNG
(N-[(4-methanesulfonamidophenyl)methyl]-4-[2-methyl...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C25H24N4O4S/c1-16-4-7-21(25-28-27-17(2)33-25)14-23(16)19-8-10-20(11-9-19)24(30)26-15-18-5-12-22(13-6-18)29-34(3,31)32/h4-14,29H,15H2,1-3H3,(H,26,30)
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40 -9.98 280n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25989
PNG
(N-[(3-methoxyphenyl)methyl]-4-[2-methyl-5-(5-methy...)
Show SMILES COc1cccc(CNC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)c1
Show InChI InChI=1S/C25H23N3O3/c1-16-7-8-21(25-28-27-17(2)31-25)14-23(16)19-9-11-20(12-10-19)24(29)26-15-18-5-4-6-22(13-18)30-3/h4-14H,15H2,1-3H3,(H,26,29)
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60 -9.75 370n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25990
PNG
(N-[(4-methoxyphenyl)methyl]-4-[2-methyl-5-(5-methy...)
Show SMILES COc1ccc(CNC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)cc1
Show InChI InChI=1S/C25H23N3O3/c1-16-4-7-21(25-28-27-17(2)31-25)14-23(16)19-8-10-20(11-9-19)24(29)26-15-18-5-12-22(30-3)13-6-18/h4-14H,15H2,1-3H3,(H,26,29)
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80 -9.58 520n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25991
PNG
(N-[(4-chlorophenyl)methyl]-4-[2-methyl-5-(5-methyl...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C24H20ClN3O2/c1-15-3-6-20(24-28-27-16(2)30-24)13-22(15)18-7-9-19(10-8-18)23(29)26-14-17-4-11-21(25)12-5-17/h3-13H,14H2,1-2H3,(H,26,29)
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100 -9.45 600n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25988
PNG
(N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H21N3O2/c1-16-8-9-21(24-27-26-17(2)29-24)14-22(16)19-10-12-20(13-11-19)23(28)25-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,28)
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100 -9.45 610n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25985
PNG
(4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pheny...)
Show SMILES CNC(=O)c1cccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)c1
Show InChI InChI=1S/C25H22N4O3/c1-15-7-8-20(25-29-28-16(2)32-25)14-22(15)17-9-11-18(12-10-17)24(31)27-21-6-4-5-19(13-21)23(30)26-3/h4-14H,1-3H3,(H,26,30)(H,27,31)
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100 -9.45 600n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25993
PNG
(N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-...)
Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(cc1)-c1cc(ccc1C)-c1nnc(C)o1
Show InChI InChI=1S/C25H22ClN3O2/c1-16-4-7-21(24-28-27-17(2)31-24)14-23(16)19-8-10-20(11-9-19)25(30)29(3)15-18-5-12-22(26)13-6-18/h4-14H,15H2,1-3H3
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140 -9.25 890n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25992
PNG
(4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pheny...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCc1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C29H30N4O3/c1-20-6-7-26(29-32-31-21(2)36-29)17-27(20)24-8-10-25(11-9-24)28(34)30-18-22-4-3-5-23(16-22)19-33-12-14-35-15-13-33/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,30,34)
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140 -9.25 870n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25980
PNG
(BMCL18324 Compound 3 | CHEMBL270164 | N-(3-cyanoph...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C24H18N4O2/c1-15-6-7-20(24-28-27-16(2)30-24)13-22(15)18-8-10-19(11-9-18)23(29)26-21-5-3-4-17(12-21)14-25/h3-13H,1-2H3,(H,26,29)
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240 -8.93 1.50E+3n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25980
PNG
(BMCL18324 Compound 3 | CHEMBL270164 | N-(3-cyanoph...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C24H18N4O2/c1-15-6-7-20(24-28-27-16(2)30-24)13-22(15)18-8-10-19(11-9-18)23(29)26-21-5-3-4-17(12-21)14-25/h3-13H,1-2H3,(H,26,29)
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240 -8.93 1.50E+3n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 318-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.076
BindingDB Entry DOI: 10.7270/Q2KP80G3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25980
PNG
(BMCL18324 Compound 3 | CHEMBL270164 | N-(3-cyanoph...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C24H18N4O2/c1-15-6-7-20(24-28-27-16(2)30-24)13-22(15)18-8-10-19(11-9-18)23(29)26-21-5-3-4-17(12-21)14-25/h3-13H,1-2H3,(H,26,29)
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240n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25984
PNG
(N-(2-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-...)
Show SMILES COc1ccccc1NC(=O)c1ccc(cc1)-c1cc(ccc1C)-c1nnc(C)o1
Show InChI InChI=1S/C24H21N3O3/c1-15-8-9-19(24-27-26-16(2)30-24)14-20(15)17-10-12-18(13-11-17)23(28)25-21-6-4-5-7-22(21)29-3/h4-14H,1-3H3,(H,25,28)
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250 -8.91 1.60E+3n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25983
PNG
(N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)cc1
Show InChI InChI=1S/C24H21N3O3/c1-15-4-5-19(24-27-26-16(2)30-24)14-22(15)17-6-8-18(9-7-17)23(28)25-20-10-12-21(29-3)13-11-20/h4-14H,1-3H3,(H,25,28)
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360 -8.70 2.30E+3n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25981
PNG
(BMCL18324 Compound 17 | CHEMBL273158 | N-(cyclopro...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
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480 -8.53 3.00E+3n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 318-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.076
BindingDB Entry DOI: 10.7270/Q2KP80G3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25981
PNG
(BMCL18324 Compound 17 | CHEMBL273158 | N-(cyclopro...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
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480 -8.53 3.00E+3n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25981
PNG
(BMCL18324 Compound 17 | CHEMBL273158 | N-(cyclopro...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
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480n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25982
PNG
(4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pheny...)
Show SMILES CN1CCN(CC1)c1cccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)c1
Show InChI InChI=1S/C28H29N5O2/c1-19-7-8-23(28-31-30-20(2)35-28)17-26(19)21-9-11-22(12-10-21)27(34)29-24-5-4-6-25(18-24)33-15-13-32(3)14-16-33/h4-12,17-18H,13-16H2,1-3H3,(H,29,34)
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490 -8.52 3.10E+3n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25979
PNG
(BMCL18324 Compound 1 | N-[4-methoxy-3-(4-methylpip...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-5-6-23(29-32-31-20(2)37-29)17-25(19)21-7-9-22(10-8-21)28(35)30-24-11-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,30,35)
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1.60E+3 -7.82 1.00E+4n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 324-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.043
BindingDB Entry DOI: 10.7270/Q2FX77RC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25979
PNG
(BMCL18324 Compound 1 | N-[4-methoxy-3-(4-methylpip...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-5-6-23(29-32-31-20(2)37-29)17-25(19)21-7-9-22(10-8-21)28(35)30-24-11-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,30,35)
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1.60E+3 -7.82 1.00E+4n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 318-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.076
BindingDB Entry DOI: 10.7270/Q2KP80G3
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM25979
PNG
(BMCL18324 Compound 1 | N-[4-methoxy-3-(4-methylpip...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-5-6-23(29-32-31-20(2)37-29)17-25(19)21-7-9-22(10-8-21)28(35)30-24-11-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,30,35)
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2.80E+3 -7.49 8.40E+3n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 18: 318-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.076
BindingDB Entry DOI: 10.7270/Q2KP80G3
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (human))
BDBM25979
PNG
(BMCL18324 Compound 1 | N-[4-methoxy-3-(4-methylpip...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-5-6-23(29-32-31-20(2)37-29)17-25(19)21-7-9-22(10-8-21)28(35)30-24-11-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,30,35)
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>4.00E+3>-7.28>1.60E+4n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 318-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.076
BindingDB Entry DOI: 10.7270/Q2KP80G3
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (human))
BDBM25980
PNG
(BMCL18324 Compound 3 | CHEMBL270164 | N-(3-cyanoph...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C24H18N4O2/c1-15-6-7-20(24-28-27-16(2)30-24)13-22(15)18-8-10-19(11-9-18)23(29)26-21-5-3-4-17(12-21)14-25/h3-13H,1-2H3,(H,26,29)
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>4.00E+3>-7.28>1.60E+4n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 318-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.076
BindingDB Entry DOI: 10.7270/Q2KP80G3
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (human))
BDBM25981
PNG
(BMCL18324 Compound 17 | CHEMBL273158 | N-(cyclopro...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
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>4.00E+3>-7.28>1.60E+4n/an/an/an/a7.522



GSK



Assay Description
Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved...


Bioorg Med Chem Lett 18: 318-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.076
BindingDB Entry DOI: 10.7270/Q2KP80G3
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM25981
PNG
(BMCL18324 Compound 17 | CHEMBL273158 | N-(cyclopro...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
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>5.40E+3>-7.11>1.60E+4n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 18: 318-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.076
BindingDB Entry DOI: 10.7270/Q2KP80G3
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM25980
PNG
(BMCL18324 Compound 3 | CHEMBL270164 | N-(3-cyanoph...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C24H18N4O2/c1-15-6-7-20(24-28-27-16(2)30-24)13-22(15)18-8-10-19(11-9-18)23(29)26-21-5-3-4-17(12-21)14-25/h3-13H,1-2H3,(H,26,29)
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>5.40E+3>-7.11>1.60E+4n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 18: 318-23 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.076
BindingDB Entry DOI: 10.7270/Q2KP80G3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM25981
PNG
(BMCL18324 Compound 17 | CHEMBL273158 | N-(cyclopro...)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]pheny...


Bioorg Med Chem Lett 18: 4428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CR5T5P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)