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Compile Data Set for Download or QSAR

Found 2691 hits with Last Name = 'bennett' and Initial = 'bl'   
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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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))
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))
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))
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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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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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))
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))
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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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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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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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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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))
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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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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325499
PNG
(US10189845, Example 161 | US10730880, Example 161 ...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@H](O)C1 |r,wU:26.30,wD:24.27,(-1.67,6.5,;-2.44,5.17,;-1.67,3.84,;-.13,3.84,;.64,5.17,;-2.44,2.5,;-1.96,1.04,;-3.21,.13,;-4.45,1.04,;-3.98,2.5,;-3.21,-1.41,;-1.87,-2.18,;-1.87,-3.72,;-3.21,-4.49,;-4.54,-3.72,;-6,-4.19,;-6.91,-2.95,;-6,-1.7,;-4.54,-2.18,;-.54,-4.49,;-.54,-6.03,;.93,-6.5,;1.83,-5.26,;.93,-4.01,;3.32,-4.86,;4.65,-5.63,;5.42,-4.3,;6.91,-3.9,;4.09,-3.53,)|
Show InChI InChI=1S/C21H25N7O/c1-3-16(4-2)26-12-15(10-24-26)21-20-5-6-22-28(20)13-19(25-21)14-9-23-27(11-14)17-7-18(29)8-17/h5-6,9-13,16-18,29H,3-4,7-8H2,1-2H3/t17-,18-
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Array BioPharma Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10189845 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03B7Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325500
PNG
((1s,3s)-1-methyl-3-(4-(4-(1-(pentan-3-yl)-1H-pyraz...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@](C)(O)C1 |r,wU:26.31,wD:26.30,(.46,9.04,;-.31,7.71,;.46,6.38,;2,6.38,;2.77,7.71,;-.31,5.04,;.17,3.58,;-1.08,2.67,;-2.33,3.58,;-1.85,5.04,;-1.08,1.13,;.25,.36,;.25,-1.18,;-1.08,-1.95,;-2.41,-1.18,;-3.88,-1.65,;-4.78,-.41,;-3.88,.84,;-2.41,.36,;1.59,-1.95,;3.05,-1.47,;3.96,-2.72,;3.05,-3.96,;1.59,-3.49,;3.45,-5.45,;4.78,-6.22,;4.01,-7.56,;3.24,-8.89,;4.41,-9.04,;2.68,-6.79,)|
Show InChI InChI=1S/C22H27N7O/c1-4-17(5-2)27-13-16(11-25-27)21-20-6-7-23-29(20)14-19(26-21)15-10-24-28(12-15)18-8-22(3,30)9-18/h6-7,10-14,17-18,30H,4-5,8-9H2,1-3H3/t18?,22-
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Array BioPharma Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10189845 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03B7Q
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325513
PNG
((R)-2-hydroxy-1-(3-(4-(4-(1-(pentan-3-yl)-1H-pyraz...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)[C@@H](C)O |r|
Show InChI InChI=1S/C23H28N8O2/c1-4-18(5-2)29-11-17(9-26-29)22-21-6-7-24-31(21)14-20(27-22)16-8-25-30(10-16)19-12-28(13-19)23(33)15(3)32/h6-11,14-15,18-19,32H,4-5,12-13H2,1-3H3/t15-/m1/s1
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Array BioPharma Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10189845 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03B7Q
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325514
PNG
(2-hydroxy-2-methyl-1-(3- (4-(4-(1-(pentan-3-yl)- 1...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)C(C)(C)O
Show InChI InChI=1S/C24H30N8O2/c1-5-18(6-2)30-12-17(10-27-30)22-21-7-8-25-32(21)15-20(28-22)16-9-26-31(11-16)19-13-29(14-19)23(33)24(3,4)34/h7-12,15,18-19,34H,5-6,13-14H2,1-4H3
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Array BioPharma Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10189845 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03B7Q
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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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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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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325470
PNG
(US10189845, Example 132A | US10189845, Example 133...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@@H]1C[C@H](O)[C@H](O)C1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-3-16(4-2)27-12-15(10-25-27)22-19-5-6-23-29(19)13-18(26-22)14-9-24-28(11-14)17-7-20(30)21(31)8-17/h5-6,9-13,16-17,20-21,30-31H,3-4,7-8H2,1-2H3/t17-,20+,21-
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325423
PNG
((R)-2-(4-(4-(1-(sec- butyl)-1H-pyrazol-4- yl)pyraz...)
Show SMILES CC[C@@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO |r|
Show InChI InChI=1S/C19H23N7O2/c1-3-13(2)24-9-15(7-21-24)19-18-4-5-20-26(18)10-17(23-19)14-6-22-25(8-14)16(11-27)12-28/h4-10,13,16,27-28H,3,11-12H2,1-2H3/t13-/m1/s1
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325424
PNG
((S)-3-(4-(4-(1-((S)- pentan-2-yl)-1H-pyrazol- 4-yl...)
Show SMILES CCC[C@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
Show InChI InChI=1S/C20H25N7O2/c1-3-4-14(2)26-10-16(8-23-26)20-19-5-6-21-27(19)12-18(24-20)15-7-22-25(9-15)11-17(29)13-28/h5-10,12,14,17,28-29H,3-4,11,13H2,1-2H3/t14-,17-/m0/s1
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM502821
PNG
(US11028093, Example 118 | trans-4-(4-(4-(1-(pentan...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(-1.81,6.37,;-2.71,5.12,;-2.09,3.72,;-.56,3.56,;.35,4.8,;-2.99,2.47,;-2.52,1.01,;-3.76,.1,;-5.01,1.01,;-4.53,2.47,;-3.76,-1.44,;-2.43,-2.21,;-2.43,-3.75,;-3.76,-4.52,;-5.1,-3.75,;-6.56,-4.22,;-7.47,-2.98,;-6.56,-1.73,;-5.1,-2.21,;-1.1,-4.52,;-.94,-6.05,;.57,-6.37,;1.34,-5.04,;.31,-3.89,;2.87,-4.88,;3.5,-3.47,;5.03,-3.31,;5.94,-4.55,;7.47,-4.39,;5.31,-5.96,;3.78,-6.12,)|
Show InChI InChI=1S/C23H29N7O/c1-3-18(4-2)28-14-17(12-26-28)23-22-9-10-24-30(22)15-21(27-23)16-11-25-29(13-16)19-5-7-20(31)8-6-19/h9-15,18-20,31H,3-8H2,1-2H3/t19-,20-
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325457
PNG
(US10189845, Example 119 | US10730880, Example 119 ...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@H](O)C1 |r,wU:26.30,(1.23,4.45,;.14,3.36,;-1.35,3.76,;-1.75,5.25,;-.66,6.34,;-2.44,2.67,;-1.96,1.21,;-3.21,.3,;-4.45,1.21,;-3.98,2.67,;-3.21,-1.24,;-1.87,-2.01,;-1.87,-3.55,;-3.21,-4.32,;-4.54,-3.55,;-6,-4.03,;-6.91,-2.78,;-6,-1.53,;-4.54,-2.01,;-.54,-4.32,;-.54,-5.86,;.93,-6.34,;1.83,-5.09,;.93,-3.84,;3.32,-4.69,;4.65,-5.46,;5.42,-4.13,;6.91,-3.73,;4.09,-3.36,)|
Show InChI InChI=1S/C21H25N7O/c1-3-16(4-2)26-12-15(10-24-26)21-20-5-6-22-28(20)13-19(25-21)14-9-23-27(11-14)17-7-18(29)8-17/h5-6,9-13,16-18,29H,3-4,7-8H2,1-2H3/t17?,18-
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325370
PNG
(6-(1-(1- (methylsulfonyl)piperidin- 4-yl)-1H-pyraz...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H30N8O2S/c1-4-19(5-2)29-15-18(13-26-29)23-22-6-9-24-31(22)16-21(27-23)17-12-25-30(14-17)20-7-10-28(11-8-20)34(3,32)33/h6,9,12-16,19-20H,4-5,7-8,10-11H2,1-3H3
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325370
PNG
(6-(1-(1- (methylsulfonyl)piperidin- 4-yl)-1H-pyraz...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H30N8O2S/c1-4-19(5-2)29-15-18(13-26-29)23-22-6-9-24-31(22)16-21(27-23)17-12-25-30(14-17)20-7-10-28(11-8-20)34(3,32)33/h6,9,12-16,19-20H,4-5,7-8,10-11H2,1-3H3
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325371
PNG
(2-methoxy-1-(4-(4-(4-(1- (pentan-3-yl)-1H-pyrazol-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)COC
Show InChI InChI=1S/C25H32N8O2/c1-4-20(5-2)31-15-19(13-28-31)25-23-6-9-26-33(23)16-22(29-25)18-12-27-32(14-18)21-7-10-30(11-8-21)24(34)17-35-3/h6,9,12-16,20-21H,4-5,7-8,10-11,17H2,1-3H3
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325371
PNG
(2-methoxy-1-(4-(4-(4-(1- (pentan-3-yl)-1H-pyrazol-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)COC
Show InChI InChI=1S/C25H32N8O2/c1-4-20(5-2)31-15-19(13-28-31)25-23-6-9-26-33(23)16-22(29-25)18-12-27-32(14-18)21-7-10-30(11-8-21)24(34)17-35-3/h6,9,12-16,20-21H,4-5,7-8,10-11,17H2,1-3H3
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325372
PNG
(N-methyl-4-(4-(4-(1- (pentan-3-yl)-1H-pyrazol- 4-y...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)NC
Show InChI InChI=1S/C24H31N9O/c1-4-19(5-2)31-15-18(13-28-31)23-22-6-9-26-33(22)16-21(29-23)17-12-27-32(14-17)20-7-10-30(11-8-20)24(34)25-3/h6,9,12-16,19-20H,4-5,7-8,10-11H2,1-3H3,(H,25,34)
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325374
PNG
(2-amino-1-(4-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-4-y...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)CN
Show InChI InChI=1S/C24H31N9O/c1-3-19(4-2)31-15-18(13-28-31)24-22-5-8-26-33(22)16-21(29-24)17-12-27-32(14-17)20-6-9-30(10-7-20)23(34)11-25/h5,8,12-16,19-20H,3-4,6-7,9-11,25H2,1-2H3
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325374
PNG
(2-amino-1-(4-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-4-y...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)CN
Show InChI InChI=1S/C24H31N9O/c1-3-19(4-2)31-15-18(13-28-31)24-22-5-8-26-33(22)16-21(29-24)17-12-27-32(14-17)20-6-9-30(10-7-20)23(34)11-25/h5,8,12-16,19-20H,3-4,6-7,9-11,25H2,1-2H3
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325375
PNG
(6-(1-(1-(methylsulfonyl)azetidin-3-yl)-1H-pyrazol-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)S(C)(=O)=O
Show InChI InChI=1S/C21H26N8O2S/c1-4-17(5-2)27-11-16(9-24-27)21-20-6-7-22-29(20)14-19(25-21)15-8-23-28(10-15)18-12-26(13-18)32(3,30)31/h6-11,14,17-18H,4-5,12-13H2,1-3H3
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325386
PNG
(4-(1-(3-ethyl-1-((trifluoromethyl)sulfonyl)azetidi...)
Show SMILES CCC1(CN(C1)S(=O)(=O)C(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
Show InChI InChI=1S/C19H19F3N8O2S/c1-3-18(11-28(12-18)33(31,32)19(20,21)22)30-9-14(7-25-30)17-16-4-5-23-29(16)10-15(26-17)13-6-24-27(2)8-13/h4-10H,3,11-12H2,1-2H3
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325386
PNG
(4-(1-(3-ethyl-1-((trifluoromethyl)sulfonyl)azetidi...)
Show SMILES CCC1(CN(C1)S(=O)(=O)C(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C)c1
Show InChI InChI=1S/C19H19F3N8O2S/c1-3-18(11-28(12-18)33(31,32)19(20,21)22)30-9-14(7-25-30)17-16-4-5-23-29(16)10-15(26-17)13-6-24-27(2)8-13/h4-10H,3,11-12H2,1-2H3
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325545
PNG
(US10189845, Example 207A | US10730880, Example 207...)
Show SMILES CC[C@@H]1CCC[C@@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-2-15-4-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18-,20+/m1/s1
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325351
PNG
(3-(4-(4-(1-(pentan-3-yl)-1H- pyrazol-4-yl)pyrazolo...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CS(=O)(=O)C1
Show InChI InChI=1S/C20H23N7O2S/c1-3-16(4-2)25-10-15(8-23-25)20-19-5-6-21-27(19)11-18(24-20)14-7-22-26(9-14)17-12-30(28,29)13-17/h5-11,16-17H,3-4,12-13H2,1-2H3
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325369
PNG
(1-(4-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-4-yl)pyrazo...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H30N8O/c1-4-20(5-2)30-15-19(13-27-30)24-23-6-9-25-32(23)16-22(28-24)18-12-26-31(14-18)21-7-10-29(11-8-21)17(3)33/h6,9,12-16,20-21H,4-5,7-8,10-11H2,1-3H3
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325514
PNG
(2-hydroxy-2-methyl-1-(3- (4-(4-(1-(pentan-3-yl)- 1...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)C(C)(C)O
Show InChI InChI=1S/C24H30N8O2/c1-5-18(6-2)30-12-17(10-27-30)22-21-7-8-25-32(21)15-20(28-22)16-9-26-31(11-16)19-13-29(14-19)23(33)24(3,4)34/h7-12,15,18-19,34H,5-6,13-14H2,1-4H3
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325515
PNG
((1- hydroxycyclopropyl)(3- (4-(4-(1-(pentan-3-yl)-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)C1(O)CC1
Show InChI InChI=1S/C24H28N8O2/c1-3-18(4-2)30-12-17(10-27-30)22-21-5-8-25-32(21)15-20(28-22)16-9-26-31(11-16)19-13-29(14-19)23(33)24(34)6-7-24/h5,8-12,15,18-19,34H,3-4,6-7,13-14H2,1-2H3
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325545
PNG
(US10189845, Example 207A | US10730880, Example 207...)
Show SMILES CC[C@@H]1CCC[C@@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-2-15-4-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18-,20+/m1/s1
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM502873
PNG
((1s,3 s)-1-methyl-3-(4-(4-(1-(pentan-3-yl)-1H-pyra...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@@](C)(O)C1 |r,wU:24.27,26.31,wD:26.30,(.5,8.74,;-.41,7.49,;.22,6.08,;1.75,5.92,;2.66,7.17,;-.69,4.84,;-.21,3.37,;-1.46,2.47,;-2.7,3.37,;-2.23,4.84,;-1.46,.93,;-.12,.16,;-.12,-1.38,;-1.46,-2.15,;-2.79,-1.38,;-4.26,-1.86,;-5.16,-.61,;-4.26,.63,;-2.79,.16,;1.21,-2.15,;2.62,-1.53,;3.65,-2.67,;2.88,-4.01,;1.37,-3.68,;3.5,-5.41,;4.94,-5.96,;4.39,-7.4,;3.62,-8.74,;5.16,-8.74,;2.95,-6.85,)|
Show InChI InChI=1S/C22H27N7O/c1-4-17(5-2)27-13-16(11-25-27)21-20-6-7-23-29(20)14-19(26-21)15-10-24-28(12-15)18-8-22(3,30)9-18/h6-7,10-14,17-18,30H,4-5,8-9H2,1-3H3/t18-,22+
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM502874
PNG
((1s,3s)-1-(hydroxymethyl)-3-(4-(4-(1-(pentan-3-yl)...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@](O)(CO)C1 |r,wU:24.27,26.30,wD:26.31,(-.25,19.36,;-1.15,18.12,;-.53,16.71,;1.01,16.55,;1.91,17.79,;-1.43,15.46,;-.95,14,;-2.2,13.09,;-3.45,14,;-2.97,15.46,;-2.2,11.55,;-.87,10.78,;-.87,9.24,;-2.2,8.47,;-3.53,9.24,;-5,8.77,;-5.9,10.01,;-5,11.26,;-3.53,10.78,;.47,8.47,;1.87,9.1,;2.9,7.96,;2.13,6.62,;.63,6.94,;2.76,5.22,;4.2,4.66,;3.65,3.23,;5.19,3.23,;4.42,1.89,;5.9,1.49,;2.21,3.78,)|
Show InChI InChI=1S/C22H27N7O2/c1-3-17(4-2)27-12-16(10-25-27)21-20-5-6-23-29(20)13-19(26-21)15-9-24-28(11-15)18-7-22(31,8-18)14-30/h5-6,9-13,17-18,30-31H,3-4,7-8,14H2,1-2H3/t18-,22+
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325501
PNG
(US10189845, Example 163A | US10189845, Example 164...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@](O)(CO)C1 |r,wU:26.30,wD:26.31,(-.1,19.14,;-.87,17.8,;-.1,16.47,;1.44,16.47,;2.21,17.8,;-.87,15.13,;-.39,13.67,;-1.64,12.77,;-2.88,13.67,;-2.41,15.13,;-1.64,11.23,;-.3,10.46,;-.3,8.92,;-1.64,8.15,;-2.97,8.92,;-4.44,8.44,;-5.34,9.69,;-4.44,10.93,;-2.97,10.46,;1.03,8.15,;2.49,8.62,;3.4,7.38,;2.49,6.13,;1.03,6.61,;2.89,4.64,;2.12,3.31,;3.46,2.54,;5,2.54,;3.85,1.05,;5.34,.65,;4.23,3.87,)|
Show InChI InChI=1S/C22H27N7O2/c1-3-17(4-2)27-12-16(10-25-27)21-20-5-6-23-29(20)13-19(26-21)15-9-24-28(11-15)18-7-22(31,8-18)14-30/h5-6,9-13,17-18,30-31H,3-4,7-8,14H2,1-2H3/t18?,22-
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325514
PNG
(2-hydroxy-2-methyl-1-(3- (4-(4-(1-(pentan-3-yl)- 1...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)C(C)(C)O
Show InChI InChI=1S/C24H30N8O2/c1-5-18(6-2)30-12-17(10-27-30)22-21-7-8-25-32(21)15-20(28-22)16-9-26-31(11-16)19-13-29(14-19)23(33)24(3,4)34/h7-12,15,18-19,34H,5-6,13-14H2,1-4H3
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n/an/a<10n/an/an/an/an/an/a



Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325515
PNG
((1- hydroxycyclopropyl)(3- (4-(4-(1-(pentan-3-yl)-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)C1(O)CC1
Show InChI InChI=1S/C24H28N8O2/c1-3-18(4-2)30-12-17(10-27-30)22-21-5-8-25-32(21)15-20(28-22)16-9-26-31(11-16)19-13-29(14-19)23(33)24(34)6-7-24/h5,8-12,15,18-19,34H,3-4,6-7,13-14H2,1-2H3
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UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325374
PNG
(2-amino-1-(4-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-4-y...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)CN
Show InChI InChI=1S/C24H31N9O/c1-3-19(4-2)31-15-18(13-28-31)24-22-5-8-26-33(22)16-21(29-24)17-12-27-32(14-17)20-6-9-30(10-7-20)23(34)11-25/h5,8,12-16,19-20H,3-4,6-7,9-11,25H2,1-2H3
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US Patent
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM455371
PNG
(6-(1-(1-(methylsulfonyl)azetidin-3-yl)-1H-pyrazol-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CC(C1)S(C)(=O)=O |(.49,4.45,;-.6,3.36,;-2.09,3.76,;-2.49,5.25,;-1.4,6.34,;-3.18,2.67,;-2.7,1.21,;-3.95,.3,;-5.2,1.21,;-4.72,2.67,;-3.95,-1.24,;-2.62,-2.01,;-2.62,-3.55,;-3.95,-4.32,;-5.28,-3.55,;-6.75,-4.03,;-7.65,-2.78,;-6.75,-1.53,;-5.28,-2.01,;-1.28,-4.32,;-1.28,-5.86,;.18,-6.34,;1.09,-5.09,;.18,-3.84,;2.57,-4.69,;3.91,-5.46,;4.68,-4.13,;3.34,-3.36,;6.17,-3.73,;7.25,-4.82,;6.94,-2.4,;7.65,-3.33,)|
Show InChI InChI=1S/C22H27N7O2S/c1-4-17(5-2)27-13-16(11-25-27)22-21-6-7-23-29(21)14-20(26-22)15-10-24-28(12-15)18-8-19(9-18)32(3,30)31/h6-7,10-14,17-19H,4-5,8-9H2,1-3H3
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US Patent
n/an/a<10n/an/an/an/an/an/a



Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
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