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Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'nagy' and Initial = 'ma'   
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
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578360
PNG
(CHEMBL4849353)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCC[C@H](O)C2)n1 |r,wU:5.8,18.18,23.24,wD:2.1,(62.95,-4.56,;64.29,-3.79,;65.62,-4.57,;65.61,-6.11,;66.95,-6.89,;68.27,-6.12,;68.28,-4.58,;66.96,-3.81,;69.61,-6.89,;70.94,-6.12,;70.94,-4.57,;72.27,-3.8,;73.61,-4.57,;74.94,-3.79,;76.27,-4.55,;74.93,-2.25,;73.62,-6.11,;74.95,-6.87,;74.96,-8.41,;73.53,-9.12,;73.24,-10.59,;74.17,-11.79,;75.64,-11.83,;76.67,-10.59,;78.16,-10.97,;76.35,-9.09,;72.27,-6.89,)|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578357
PNG
(CHEMBL4856984)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@](C)(O)C2)n1 |r,wU:5.8,18.18,wD:22.23,2.1,(1.13,-3.13,;2.47,-2.37,;3.8,-3.14,;3.79,-4.69,;5.12,-5.47,;6.45,-4.69,;6.46,-3.15,;5.13,-2.38,;7.78,-5.46,;9.12,-4.69,;9.12,-3.15,;10.45,-2.38,;11.79,-3.14,;13.11,-2.37,;14.45,-3.13,;13.11,-.83,;11.79,-4.69,;13.13,-5.45,;13.14,-6.99,;11.81,-7.76,;11.81,-9.29,;13.15,-10.06,;14.47,-9.29,;15.24,-10.62,;16.01,-9.29,;14.48,-7.75,;10.45,-5.47,)|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578358
PNG
(CHEMBL4878370)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CC[C@@H](C)[C@H](O)C2)n1 |r,wU:5.8,18.18,23.24,wD:2.1,21.22,(19.9,-4.09,;21.24,-3.32,;22.57,-4.1,;22.57,-5.64,;23.9,-6.42,;25.23,-5.65,;25.24,-4.11,;23.91,-3.34,;26.56,-6.42,;27.89,-5.65,;27.9,-4.11,;29.22,-3.34,;30.56,-4.1,;31.89,-3.32,;33.23,-4.09,;31.88,-1.78,;30.57,-5.64,;31.91,-6.41,;31.91,-7.95,;30.58,-8.72,;30.59,-10.25,;31.92,-11.02,;31.92,-12.56,;33.25,-10.24,;34.58,-11.01,;33.25,-8.7,;29.23,-6.42,)|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578347
PNG
(CHEMBL4853125)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@@H](O)C2)n1 |r,wU:5.8,18.18,wD:2.1,22.23,(41.41,-23.69,;42.75,-22.93,;44.08,-23.7,;44.07,-25.24,;45.41,-26.02,;46.73,-25.25,;46.74,-23.71,;45.42,-22.94,;48.07,-26.02,;49.4,-25.25,;49.4,-23.71,;50.73,-22.94,;52.07,-23.7,;53.4,-22.92,;54.73,-23.69,;53.39,-21.38,;52.08,-25.24,;53.41,-26.01,;53.42,-27.55,;52.09,-28.32,;52.09,-29.85,;53.43,-30.62,;54.76,-29.85,;56.1,-30.62,;54.76,-28.3,;50.73,-26.02,)|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578367
PNG
(CHEMBL4864618)
Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@@H](CC2)OCC(F)(F)F)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,23.24,27.29,wD:11.14,(79.91,-33.17,;78.57,-32.41,;78.56,-30.87,;77.24,-33.18,;75.9,-32.42,;74.57,-33.19,;74.57,-34.73,;73.24,-35.5,;71.9,-34.73,;70.58,-35.51,;69.24,-34.73,;69.25,-33.18,;70.59,-32.42,;71.91,-33.19,;67.92,-32.41,;66.58,-33.17,;65.25,-32.4,;65.26,-30.86,;63.91,-33.16,;63.91,-31.62,;75.91,-35.5,;77.25,-34.73,;78.58,-35.49,;78.59,-37.03,;77.26,-37.8,;77.27,-39.33,;78.6,-40.1,;79.93,-39.33,;81.26,-40.09,;79.93,-37.79,)|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578346
PNG
(CHEMBL4847078)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,18.18,22.23,wD:2.1,(21,-22.65,;22.34,-21.88,;23.67,-22.66,;23.66,-24.2,;25,-24.98,;26.32,-24.21,;26.33,-22.67,;25.01,-21.9,;27.66,-24.98,;28.99,-24.21,;28.99,-22.66,;30.32,-21.89,;31.66,-22.66,;32.99,-21.88,;34.32,-22.64,;32.98,-20.34,;31.67,-24.2,;33,-24.96,;33.01,-26.5,;31.68,-27.27,;31.68,-28.81,;33.02,-29.58,;34.35,-28.8,;35.68,-29.57,;34.35,-27.26,;30.32,-24.98,)|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578366
PNG
(CHEMBL4845965)
Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@@H](CC2)OC(F)F)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,21.22,25.27,wD:11.14,(57.85,-32.36,;56.51,-31.59,;56.51,-30.05,;55.18,-32.37,;53.85,-31.61,;52.52,-32.38,;52.52,-33.92,;51.18,-34.69,;49.85,-33.92,;48.52,-34.69,;47.19,-33.91,;47.19,-32.37,;48.53,-31.61,;49.86,-32.38,;45.86,-31.6,;44.53,-32.36,;43.2,-31.58,;44.52,-33.9,;53.85,-34.69,;55.19,-33.91,;56.53,-34.68,;56.54,-36.22,;55.21,-36.99,;55.21,-38.52,;56.54,-39.29,;57.87,-38.51,;59.21,-39.28,;57.88,-36.97,)|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578365
PNG
(CHEMBL4853525)
Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,18.19,22.24,wD:11.11,(15.33,-30.3,;13.99,-29.54,;13.99,-28,;12.66,-30.32,;11.33,-29.55,;10,-30.32,;10,-31.87,;8.66,-32.64,;7.33,-31.87,;6,-32.64,;4.67,-31.86,;4.67,-30.32,;3.34,-29.54,;6.01,-29.56,;7.34,-30.33,;11.33,-32.64,;12.67,-31.86,;14.01,-32.62,;14.02,-34.16,;12.69,-34.93,;12.69,-36.47,;14.02,-37.24,;15.35,-36.46,;16.69,-37.23,;15.36,-34.92,)|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578346
PNG
(CHEMBL4847078)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,18.18,22.23,wD:2.1,(21,-22.65,;22.34,-21.88,;23.67,-22.66,;23.66,-24.2,;25,-24.98,;26.32,-24.21,;26.33,-22.67,;25.01,-21.9,;27.66,-24.98,;28.99,-24.21,;28.99,-22.66,;30.32,-21.89,;31.66,-22.66,;32.99,-21.88,;34.32,-22.64,;32.98,-20.34,;31.67,-24.2,;33,-24.96,;33.01,-26.5,;31.68,-27.27,;31.68,-28.81,;33.02,-29.58,;34.35,-28.8,;35.68,-29.57,;34.35,-27.26,;30.32,-24.98,)|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578364
PNG
(CHEMBL4875131)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NC23CC(C2)C3)n1 |r,wU:5.8,wD:2.1,(64.75,-19.37,;66.09,-18.6,;67.42,-19.38,;67.42,-20.92,;68.75,-21.7,;70.08,-20.93,;70.09,-19.39,;68.76,-18.62,;71.41,-21.7,;72.75,-20.93,;72.75,-19.38,;74.08,-18.61,;75.41,-19.38,;76.74,-18.6,;78.08,-19.36,;76.73,-17.06,;75.42,-20.92,;76.76,-21.68,;76.76,-23.22,;75.68,-24.31,;76.78,-25.4,;77.86,-24.3,;76.29,-24.27,;74.08,-21.7,)|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50578361
PNG
(CHEMBL4877560)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCOC2)n1 |r,wU:5.8,18.18,wD:2.1,(2.62,-17.13,;3.96,-16.37,;5.29,-17.15,;5.28,-18.69,;6.62,-19.47,;7.95,-18.69,;7.95,-17.15,;6.63,-16.38,;9.28,-19.46,;10.61,-18.7,;10.61,-17.15,;11.94,-16.38,;13.28,-17.14,;14.61,-16.37,;15.95,-17.13,;14.6,-14.83,;13.29,-18.69,;14.63,-19.45,;14.63,-20.99,;13.3,-21.76,;13.31,-23.29,;14.64,-24.07,;15.97,-23.29,;15.97,-21.75,;11.95,-19.47,)|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50578346
PNG
(CHEMBL4847078)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,18.18,22.23,wD:2.1,(21,-22.65,;22.34,-21.88,;23.67,-22.66,;23.66,-24.2,;25,-24.98,;26.32,-24.21,;26.33,-22.67,;25.01,-21.9,;27.66,-24.98,;28.99,-24.21,;28.99,-22.66,;30.32,-21.89,;31.66,-22.66,;32.99,-21.88,;34.32,-22.64,;32.98,-20.34,;31.67,-24.2,;33,-24.96,;33.01,-26.5,;31.68,-27.27,;31.68,-28.81,;33.02,-29.58,;34.35,-28.8,;35.68,-29.57,;34.35,-27.26,;30.32,-24.98,)|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50578343
PNG
(CHEMBL4878046)
Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1Nc1ccccc1 |r,wU:8.7,wD:11.11,(53.88,-7.89,;52.54,-7.13,;52.54,-5.59,;51.21,-7.9,;49.88,-7.14,;48.55,-7.91,;48.55,-9.45,;47.21,-10.22,;45.88,-9.45,;44.55,-10.23,;43.22,-9.45,;43.22,-7.9,;41.89,-7.13,;44.56,-7.14,;45.89,-7.91,;49.88,-10.23,;51.22,-9.45,;52.56,-10.21,;52.57,-11.75,;51.24,-12.52,;51.24,-14.06,;52.58,-14.82,;53.91,-14.04,;53.9,-12.5,)|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50364378
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)|
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50578347
PNG
(CHEMBL4853125)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@@H](O)C2)n1 |r,wU:5.8,18.18,wD:2.1,22.23,(41.41,-23.69,;42.75,-22.93,;44.08,-23.7,;44.07,-25.24,;45.41,-26.02,;46.73,-25.25,;46.74,-23.71,;45.42,-22.94,;48.07,-26.02,;49.4,-25.25,;49.4,-23.71,;50.73,-22.94,;52.07,-23.7,;53.4,-22.92,;54.73,-23.69,;53.39,-21.38,;52.08,-25.24,;53.41,-26.01,;53.42,-27.55,;52.09,-28.32,;52.09,-29.85,;53.43,-30.62,;54.76,-29.85,;56.1,-30.62,;54.76,-28.3,;50.73,-26.02,)|
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578343
PNG
(CHEMBL4878046)
Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1Nc1ccccc1 |r,wU:8.7,wD:11.11,(53.88,-7.89,;52.54,-7.13,;52.54,-5.59,;51.21,-7.9,;49.88,-7.14,;48.55,-7.91,;48.55,-9.45,;47.21,-10.22,;45.88,-9.45,;44.55,-10.23,;43.22,-9.45,;43.22,-7.9,;41.89,-7.13,;44.56,-7.14,;45.89,-7.91,;49.88,-10.23,;51.22,-9.45,;52.56,-10.21,;52.57,-11.75,;51.24,-12.52,;51.24,-14.06,;52.58,-14.82,;53.91,-14.04,;53.9,-12.5,)|
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578371
PNG
(CHEMBL4877389)
Show SMILES NC(=O)c1cnc(NC23CC(C2)C3)nc1N[C@@H]1CCC[C@H](O)C1 |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578352
PNG
(CHEMBL4877655)
Show SMILES NC(=O)c1cnc(N[C@@H]2CCC[C@H](O)C2)nc1NC12CC(C1)C2 |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578354
PNG
(CHEMBL4847106)
Show SMILES C[C@@H]1CC[C@H](C[C@H]1O)Nc1nc(NC(C)(C)C)ncc1C(N)=O |r|
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578351
PNG
(CHEMBL4862452)
Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC12CC(C1)C2 |r,wU:8.7,wD:11.11,(35.38,-6.44,;34.05,-5.67,;34.04,-4.13,;32.72,-6.45,;31.38,-5.69,;30.05,-6.46,;30.05,-8,;28.72,-8.77,;27.38,-8,;26.06,-8.77,;24.72,-7.99,;24.73,-6.45,;23.4,-5.67,;26.07,-5.69,;27.39,-6.46,;31.38,-8.77,;32.73,-7.99,;34.06,-8.76,;34.07,-10.3,;32.99,-11.38,;34.08,-12.47,;35.17,-11.38,;33.65,-11.15,)|
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578353
PNG
(CHEMBL4872066)
Show SMILES C[C@@H]1CC[C@H](C[C@H]1O)Nc1nc(NC2(C)CC2)ncc1C(N)=O |r|
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578350
PNG
(CHEMBL4874549)
Show SMILES CC(C)(C)Nc1nc(N[C@H]2CC[C@H](O)CC2)ncc1C(N)=O |r,wU:9.8,wD:12.12,(14.02,-12,;15.35,-11.23,;16.69,-11.99,;15.34,-12.76,;15.34,-9.69,;14,-8.93,;12.66,-9.7,;11.33,-8.93,;9.99,-9.7,;8.66,-8.93,;7.33,-9.7,;6,-8.93,;6,-7.38,;4.67,-6.61,;7.34,-6.62,;8.67,-7.39,;11.33,-7.39,;12.66,-6.62,;13.99,-7.38,;15.32,-6.61,;16.66,-7.37,;15.32,-5.07,)|
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TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50578351
PNG
(CHEMBL4862452)
Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC12CC(C1)C2 |r,wU:8.7,wD:11.11,(35.38,-6.44,;34.05,-5.67,;34.04,-4.13,;32.72,-6.45,;31.38,-5.69,;30.05,-6.46,;30.05,-8,;28.72,-8.77,;27.38,-8,;26.06,-8.77,;24.72,-7.99,;24.73,-6.45,;23.4,-5.67,;26.07,-5.69,;27.39,-6.46,;31.38,-8.77,;32.73,-7.99,;34.06,-8.76,;34.07,-10.3,;32.99,-11.38,;34.08,-12.47,;35.17,-11.38,;33.65,-11.15,)|
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578369
PNG
(CHEMBL4861847)
Show SMILES NC(=O)c1cnc(NC2CCC(F)(F)CC2)nc1N[C@@H]1CCC[C@H](O)C1 |r|
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50545275
PNG
(CHEMBL4645677)
Show SMILES Fc1ccc(N2CCN(Cc3ccc(COc4cccc5C(=O)N(Cc45)C4CCC(=O)NC4=O)cc3)CC2)c(F)c1
Show InChI InChI=1S/C31H30F2N4O4/c32-22-8-9-26(25(33)16-22)36-14-12-35(13-15-36)17-20-4-6-21(7-5-20)19-41-28-3-1-2-23-24(28)18-37(31(23)40)27-10-11-29(38)34-30(27)39/h1-9,16,27H,10-15,17-19H2,(H,34,38,39)
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n/an/a 14n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of adrenergic receptor alpha1 (unknown origin)


J Med Chem 63: 6648-6676 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01928
BindingDB Entry DOI: 10.7270/Q2KS6W4N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578370
PNG
(CHEMBL4852708)
Show SMILES CC(C)(C)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r|
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578363
PNG
(CHEMBL4857485)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NC(C)(C)C)n1 |r,wU:5.8,wD:2.1,(41.72,-18.67,;43.06,-17.9,;44.39,-18.68,;44.39,-20.22,;45.72,-21,;47.05,-20.23,;47.05,-18.69,;45.73,-17.92,;48.38,-21,;49.71,-20.23,;49.72,-18.68,;51.04,-17.91,;52.38,-18.68,;53.71,-17.9,;55.05,-18.66,;53.7,-16.36,;52.39,-20.22,;53.73,-20.98,;53.73,-22.52,;52.4,-23.3,;55.07,-23.29,;53.72,-24.06,;51.05,-21,)|
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50578350
PNG
(CHEMBL4874549)
Show SMILES CC(C)(C)Nc1nc(N[C@H]2CC[C@H](O)CC2)ncc1C(N)=O |r,wU:9.8,wD:12.12,(14.02,-12,;15.35,-11.23,;16.69,-11.99,;15.34,-12.76,;15.34,-9.69,;14,-8.93,;12.66,-9.7,;11.33,-8.93,;9.99,-9.7,;8.66,-8.93,;7.33,-9.7,;6,-8.93,;6,-7.38,;4.67,-6.61,;7.34,-6.62,;8.67,-7.39,;11.33,-7.39,;12.66,-6.62,;13.99,-7.38,;15.32,-6.61,;16.66,-7.37,;15.32,-5.07,)|
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578362
PNG
(CHEMBL4866929)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCC(F)(F)C2)n1 |r,wU:5.8,18.18,wD:2.1,(20.63,-18.13,;21.97,-17.36,;23.3,-18.14,;23.3,-19.68,;24.63,-20.46,;25.96,-19.69,;25.97,-18.15,;24.64,-17.38,;27.29,-20.46,;28.62,-19.69,;28.63,-18.15,;29.96,-17.37,;31.29,-18.14,;32.62,-17.36,;33.96,-18.12,;32.61,-15.82,;31.3,-19.68,;32.64,-20.45,;32.64,-21.99,;31.31,-22.75,;31.32,-24.29,;32.65,-25.06,;33.98,-24.28,;35.52,-24.28,;34.75,-25.62,;33.98,-22.74,;29.96,-20.46,)|
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578342
PNG
(CHEMBL4861369)
Show SMILES COc1ccc(Nc2ncc(C(N)=O)c(Nc3ccccc3)n2)cc1OC
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578361
PNG
(CHEMBL4877560)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCOC2)n1 |r,wU:5.8,18.18,wD:2.1,(2.62,-17.13,;3.96,-16.37,;5.29,-17.15,;5.28,-18.69,;6.62,-19.47,;7.95,-18.69,;7.95,-17.15,;6.63,-16.38,;9.28,-19.46,;10.61,-18.7,;10.61,-17.15,;11.94,-16.38,;13.28,-17.14,;14.61,-16.37,;15.95,-17.13,;14.6,-14.83,;13.29,-18.69,;14.63,-19.45,;14.63,-20.99,;13.3,-21.76,;13.31,-23.29,;14.64,-24.07,;15.97,-23.29,;15.97,-21.75,;11.95,-19.47,)|
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50578353
PNG
(CHEMBL4872066)
Show SMILES C[C@@H]1CC[C@H](C[C@H]1O)Nc1nc(NC2(C)CC2)ncc1C(N)=O |r|
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50578342
PNG
(CHEMBL4861369)
Show SMILES COc1ccc(Nc2ncc(C(N)=O)c(Nc3ccccc3)n2)cc1OC
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578359
PNG
(CHEMBL4851639)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NCCC(C)(C)O)n1 |r,wU:5.8,wD:2.1,(41.91,-4.37,;43.24,-3.6,;44.57,-4.38,;44.57,-5.92,;45.9,-6.7,;47.23,-5.93,;47.24,-4.39,;45.91,-3.62,;48.56,-6.7,;49.9,-5.93,;49.9,-4.39,;51.23,-3.62,;52.56,-4.38,;53.89,-3.6,;55.23,-4.37,;53.88,-2.06,;52.57,-5.92,;53.91,-6.69,;53.92,-8.23,;55.25,-8.99,;55.26,-10.53,;56.6,-11.3,;53.93,-11.31,;55.24,-12.06,;51.23,-6.7,)|
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n/an/a 27n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50578370
PNG
(CHEMBL4852708)
Show SMILES CC(C)(C)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r|
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n/an/a 31n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50578354
PNG
(CHEMBL4847106)
Show SMILES C[C@@H]1CC[C@H](C[C@H]1O)Nc1nc(NC(C)(C)C)ncc1C(N)=O |r|
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n/an/a 31n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578345
PNG
(CHEMBL4848290)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NC(C)C)n1 |r,wU:5.8,wD:2.1,(3.78,-21.45,;5.12,-20.68,;6.45,-21.46,;6.44,-23,;7.78,-23.78,;9.1,-23.01,;9.11,-21.47,;7.79,-20.7,;10.44,-23.78,;11.77,-23.01,;11.77,-21.47,;13.1,-20.7,;14.44,-21.46,;15.77,-20.68,;17.1,-21.45,;15.76,-19.14,;14.45,-23,;15.78,-23.77,;15.79,-25.31,;17.13,-26.06,;14.46,-26.09,;13.1,-23.78,)|
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578356
PNG
(CHEMBL4848449)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCC[C@H]2O)n1 |r,wU:5.8,18.18,wD:2.1,23.25,(63.02,-38.91,;64.36,-38.15,;65.69,-38.92,;65.68,-40.46,;67.02,-41.24,;68.34,-40.47,;68.35,-38.93,;67.03,-38.16,;69.68,-41.24,;71.01,-40.47,;71.01,-38.93,;72.34,-38.16,;73.68,-38.92,;75.01,-38.14,;76.35,-38.91,;75,-36.6,;73.69,-40.46,;75.02,-41.23,;75.03,-42.77,;73.7,-43.54,;73.7,-45.07,;75.04,-45.84,;76.37,-45.07,;76.37,-43.52,;77.7,-42.75,;72.35,-41.24,)|
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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578344
PNG
(CHEMBL4874419)
Show SMILES CC(C)Nc1nc(N[C@H]2CC[C@H](O)CC2)ncc1C(N)=O |r,wU:8.7,wD:11.11,(72.97,-12.27,;71.63,-11.52,;70.3,-12.3,;71.63,-9.98,;70.29,-9.21,;68.95,-9.99,;67.61,-9.22,;66.28,-9.99,;64.95,-9.22,;63.62,-9.99,;62.29,-9.21,;62.29,-7.67,;60.96,-6.89,;63.63,-6.91,;64.96,-7.68,;67.62,-7.68,;68.94,-6.91,;70.28,-7.67,;71.61,-6.89,;72.95,-7.66,;71.6,-5.35,)|
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n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578348
PNG
(CHEMBL4848796)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,22.23,wD:2.1,18.18,(60.6,-22.65,;61.93,-21.88,;63.26,-22.66,;63.26,-24.2,;64.59,-24.98,;65.92,-24.21,;65.93,-22.67,;64.6,-21.9,;67.25,-24.98,;68.59,-24.21,;68.59,-22.66,;69.92,-21.89,;71.25,-22.66,;72.58,-21.88,;73.92,-22.64,;72.57,-20.34,;71.26,-24.2,;72.6,-24.96,;72.6,-26.5,;71.28,-27.27,;71.28,-28.81,;72.61,-29.58,;73.95,-28.8,;75.28,-29.57,;73.95,-27.26,;69.92,-24.98,)|
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n/an/a 52n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578355
PNG
(CHEMBL4858138)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@@H](C2)OC)n1 |r,wU:5.8,18.18,22.25,wD:2.1,(43.08,-37.57,;44.42,-36.81,;45.75,-37.58,;45.74,-39.12,;47.08,-39.9,;48.4,-39.13,;48.41,-37.59,;47.09,-36.82,;49.74,-39.9,;51.07,-39.13,;51.07,-37.59,;52.4,-36.82,;53.74,-37.58,;55.07,-36.81,;56.4,-37.57,;55.06,-35.27,;53.75,-39.12,;55.08,-39.89,;55.09,-41.43,;53.76,-42.2,;53.76,-43.73,;55.1,-44.5,;56.43,-43.73,;56.43,-42.18,;57.76,-44.5,;59.1,-43.73,;52.4,-39.9,)|
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n/an/a 55n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50578344
PNG
(CHEMBL4874419)
Show SMILES CC(C)Nc1nc(N[C@H]2CC[C@H](O)CC2)ncc1C(N)=O |r,wU:8.7,wD:11.11,(72.97,-12.27,;71.63,-11.52,;70.3,-12.3,;71.63,-9.98,;70.29,-9.21,;68.95,-9.99,;67.61,-9.22,;66.28,-9.99,;64.95,-9.22,;63.62,-9.99,;62.29,-9.21,;62.29,-7.67,;60.96,-6.89,;63.63,-6.91,;64.96,-7.68,;67.62,-7.68,;68.94,-6.91,;70.28,-7.67,;71.61,-6.89,;72.95,-7.66,;71.6,-5.35,)|
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n/an/a 79n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50578349
PNG
(CHEMBL4852680)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@H]2CCC[C@@H](O)C2)n1 |r,wU:5.8,wD:2.1,18.18,22.23,(2.15,-36.93,;3.48,-36.16,;4.81,-36.94,;4.81,-38.48,;6.14,-39.26,;7.47,-38.49,;7.48,-36.95,;6.15,-36.18,;8.8,-39.26,;10.14,-38.49,;10.14,-36.94,;11.47,-36.17,;12.8,-36.94,;14.13,-36.16,;15.47,-36.92,;14.13,-34.62,;12.81,-38.48,;14.15,-39.24,;14.16,-40.78,;12.83,-41.55,;12.83,-43.09,;14.16,-43.86,;15.5,-43.08,;16.83,-43.85,;15.5,-41.54,;11.47,-39.26,)|
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n/an/a 95n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50578349
PNG
(CHEMBL4852680)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@H]2CCC[C@@H](O)C2)n1 |r,wU:5.8,wD:2.1,18.18,22.23,(2.15,-36.93,;3.48,-36.16,;4.81,-36.94,;4.81,-38.48,;6.14,-39.26,;7.47,-38.49,;7.48,-36.95,;6.15,-36.18,;8.8,-39.26,;10.14,-38.49,;10.14,-36.94,;11.47,-36.17,;12.8,-36.94,;14.13,-36.16,;15.47,-36.92,;14.13,-34.62,;12.81,-38.48,;14.15,-39.24,;14.16,-40.78,;12.83,-41.55,;12.83,-43.09,;14.16,-43.86,;15.5,-43.08,;16.83,-43.85,;15.5,-41.54,;11.47,-39.26,)|
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n/an/a 110n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50578345
PNG
(CHEMBL4848290)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NC(C)C)n1 |r,wU:5.8,wD:2.1,(3.78,-21.45,;5.12,-20.68,;6.45,-21.46,;6.44,-23,;7.78,-23.78,;9.1,-23.01,;9.11,-21.47,;7.79,-20.7,;10.44,-23.78,;11.77,-23.01,;11.77,-21.47,;13.1,-20.7,;14.44,-21.46,;15.77,-20.68,;17.1,-21.45,;15.76,-19.14,;14.45,-23,;15.78,-23.77,;15.79,-25.31,;17.13,-26.06,;14.46,-26.09,;13.1,-23.78,)|
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n/an/a 113n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50578348
PNG
(CHEMBL4848796)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,22.23,wD:2.1,18.18,(60.6,-22.65,;61.93,-21.88,;63.26,-22.66,;63.26,-24.2,;64.59,-24.98,;65.92,-24.21,;65.93,-22.67,;64.6,-21.9,;67.25,-24.98,;68.59,-24.21,;68.59,-22.66,;69.92,-21.89,;71.25,-22.66,;72.58,-21.88,;73.92,-22.64,;72.57,-20.34,;71.26,-24.2,;72.6,-24.96,;72.6,-26.5,;71.28,-27.27,;71.28,-28.81,;72.61,-29.58,;73.95,-28.8,;75.28,-29.57,;73.95,-27.26,;69.92,-24.98,)|
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n/an/a 114n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50578352
PNG
(CHEMBL4877655)
Show SMILES NC(=O)c1cnc(N[C@@H]2CCC[C@H](O)C2)nc1NC12CC(C1)C2 |r|
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n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50364378
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)|
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1
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n/an/a 133n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 8


(Mus musculus)
BDBM50578351
PNG
(CHEMBL4862452)
Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC12CC(C1)C2 |r,wU:8.7,wD:11.11,(35.38,-6.44,;34.05,-5.67,;34.04,-4.13,;32.72,-6.45,;31.38,-5.69,;30.05,-6.46,;30.05,-8,;28.72,-8.77,;27.38,-8,;26.06,-8.77,;24.72,-7.99,;24.73,-6.45,;23.4,-5.67,;26.07,-5.69,;27.39,-6.46,;31.38,-8.77,;32.73,-7.99,;34.06,-8.76,;34.07,-10.3,;32.99,-11.38,;34.08,-12.47,;35.17,-11.38,;33.65,-11.15,)|
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n/an/a 170n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Mus musculus)
BDBM50578352
PNG
(CHEMBL4877655)
Show SMILES NC(=O)c1cnc(N[C@@H]2CCC[C@H](O)C2)nc1NC12CC(C1)C2 |r|
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PC cid
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UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair
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