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PubMed code 24534486

Compile data set for download or QSAR
Found 56 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021658
PNG
(CHEMBL3298194)
Show SMILES COc1cc(Nc2nc3cccc(-c4cccc5[nH]cnc45)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C23H20N4O4/c1-28-18-10-13(11-19(29-2)22(18)30-3)26-23-27-17-9-5-7-15(21(17)31-23)14-6-4-8-16-20(14)25-12-24-16/h4-12H,1-3H3,(H,24,25)(H,26,27)
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021659
PNG
(CHEMBL3297951)
Show SMILES COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1O[C@H]1CCNC1 |r,wU:28.31,(10.88,-23.43,;12.42,-23.43,;13.19,-22.09,;12.42,-20.76,;13.19,-19.42,;14.73,-19.43,;15.5,-18.1,;17.04,-18.1,;17.95,-16.86,;19.41,-17.33,;20.74,-16.56,;22.07,-17.32,;22.08,-18.87,;20.74,-19.65,;20.75,-21.19,;19.42,-21.96,;18.08,-21.18,;19.42,-23.49,;20.75,-24.27,;22.09,-23.49,;22.08,-21.95,;23.41,-21.18,;24.75,-21.94,;19.41,-18.87,;17.94,-19.35,;15.5,-20.76,;14.73,-22.09,;15.51,-23.42,;14.74,-24.76,;15.37,-26.16,;14.23,-27.2,;12.89,-26.43,;13.21,-24.92,)|
Show InChI InChI=1S/C25H24FN3O4/c1-30-20-10-9-15(13-22(20)32-16-11-12-27-14-16)28-25-29-19-7-3-5-17(24(19)33-25)23-18(26)6-4-8-21(23)31-2/h3-10,13,16,27H,11-12,14H2,1-2H3,(H,28,29)/t16-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021660
PNG
(CHEMBL3297945)
Show SMILES COc1cc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc(OC)c1OC |(15.44,-24.81,;16.21,-23.48,;15.43,-22.15,;16.2,-20.81,;15.43,-19.49,;16.2,-18.15,;17.74,-18.16,;18.65,-16.91,;20.11,-17.39,;21.44,-16.61,;22.78,-17.38,;22.78,-18.93,;21.44,-19.7,;21.45,-21.25,;20.12,-22.01,;18.79,-21.24,;20.12,-23.55,;21.45,-24.32,;22.79,-23.54,;22.78,-22.01,;24.12,-21.23,;25.45,-22,;20.11,-18.93,;18.65,-19.4,;13.89,-19.48,;13.12,-20.81,;11.58,-20.81,;10.81,-19.47,;13.89,-22.15,;13.12,-23.48,;11.58,-23.48,)|
Show InChI InChI=1S/C23H21FN2O5/c1-27-17-10-6-8-15(24)20(17)14-7-5-9-16-21(14)31-23(26-16)25-13-11-18(28-2)22(30-4)19(12-13)29-3/h5-12H,1-4H3,(H,25,26)
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021661
PNG
(CHEMBL3298039)
Show SMILES COc1ccccc1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12
Show InChI InChI=1S/C23H22N2O5/c1-26-18-11-6-5-8-15(18)16-9-7-10-17-21(16)30-23(25-17)24-14-12-19(27-2)22(29-4)20(13-14)28-3/h5-13H,1-4H3,(H,24,25)
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021662
PNG
(CHEMBL3298045)
Show SMILES COc1ccc(F)cc1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12
Show InChI InChI=1S/C23H21FN2O5/c1-27-18-9-8-13(24)10-16(18)15-6-5-7-17-21(15)31-23(26-17)25-14-11-19(28-2)22(30-4)20(12-14)29-3/h5-12H,1-4H3,(H,25,26)
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021663
PNG
(CHEMBL3298046)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(C)cc4OC)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C24H24N2O5/c1-14-9-10-16(19(11-14)27-2)17-7-6-8-18-22(17)31-24(26-18)25-15-12-20(28-3)23(30-5)21(13-15)29-4/h6-13H,1-5H3,(H,25,26)
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021664
PNG
(CHEMBL3298193)
Show SMILES COc1cc(Nc2nc3cccc(-c4cccc5cn[nH]c45)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C23H20N4O4/c1-28-18-10-14(11-19(29-2)22(18)30-3)25-23-26-17-9-5-8-16(21(17)31-23)15-7-4-6-13-12-24-27-20(13)15/h4-12H,1-3H3,(H,24,27)(H,25,26)
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n/an/a 50n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021665
PNG
(CHEMBL3297948)
Show SMILES COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1OC |(11.58,-23.48,;13.12,-23.48,;13.89,-22.15,;13.12,-20.81,;13.89,-19.48,;15.43,-19.49,;16.2,-18.15,;17.74,-18.16,;18.65,-16.91,;20.11,-17.39,;21.44,-16.61,;22.78,-17.38,;22.78,-18.93,;21.45,-19.7,;21.45,-21.25,;20.12,-22.01,;18.79,-21.24,;20.12,-23.55,;21.45,-24.32,;22.79,-23.55,;22.79,-22.01,;24.12,-21.23,;25.45,-22,;20.11,-18.93,;18.65,-19.4,;16.2,-20.81,;15.44,-22.15,;16.21,-23.48,;15.44,-24.81,)|
Show InChI InChI=1S/C22H19FN2O4/c1-26-17-11-10-13(12-19(17)28-3)24-22-25-16-8-4-6-14(21(16)29-22)20-15(23)7-5-9-18(20)27-2/h4-12H,1-3H3,(H,24,25)
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n/an/a 70n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021666
PNG
(CHEMBL3297947)
Show SMILES COc1cc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc(OC)c1 |(10.81,-19.47,;11.58,-20.81,;13.12,-20.81,;13.89,-19.48,;15.43,-19.49,;16.2,-18.15,;17.74,-18.16,;18.65,-16.91,;20.11,-17.39,;21.44,-16.61,;22.78,-17.38,;22.78,-18.93,;21.45,-19.7,;21.45,-21.25,;20.12,-22.01,;18.79,-21.24,;20.12,-23.55,;21.45,-24.32,;22.79,-23.55,;22.79,-22.01,;24.12,-21.23,;25.45,-22,;20.11,-18.93,;18.65,-19.4,;16.2,-20.81,;15.44,-22.15,;16.21,-23.48,;15.44,-24.81,;13.89,-22.15,)|
Show InChI InChI=1S/C22H19FN2O4/c1-26-14-10-13(11-15(12-14)27-2)24-22-25-18-8-4-6-16(21(18)29-22)20-17(23)7-5-9-19(20)28-3/h4-12H,1-3H3,(H,24,25)
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n/an/a 210n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021668
PNG
(CHEMBL3298040)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccc4F)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C22H19FN2O4/c1-26-18-11-13(12-19(27-2)21(18)28-3)24-22-25-17-10-6-8-15(20(17)29-22)14-7-4-5-9-16(14)23/h4-12H,1-3H3,(H,24,25)
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n/an/a 220n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021667
PNG
(CHEMBL3297950)
Show SMILES COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1N |(11.58,-23.49,;13.12,-23.49,;13.89,-22.16,;13.12,-20.82,;13.9,-19.49,;15.44,-19.49,;16.21,-18.16,;17.75,-18.16,;18.66,-16.92,;20.12,-17.4,;21.45,-16.62,;22.78,-17.38,;22.79,-18.93,;21.45,-19.71,;21.46,-21.25,;20.13,-22.02,;18.79,-21.25,;20.12,-23.56,;21.46,-24.33,;22.8,-23.55,;22.79,-22.02,;24.12,-21.24,;25.46,-22,;20.12,-18.94,;18.65,-19.41,;16.21,-20.82,;15.44,-22.15,;16.21,-23.49,)|
Show InChI InChI=1S/C21H18FN3O3/c1-26-17-10-9-12(11-15(17)23)24-21-25-16-7-3-5-13(20(16)28-21)19-14(22)6-4-8-18(19)27-2/h3-11H,23H2,1-2H3,(H,24,25)
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n/an/a 220n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021669
PNG
(CHEMBL3297949)
Show SMILES COc1cccc(F)c1-c1cccc2nc(Nc3cccc(c3)S(N)(=O)=O)oc12 |(25.47,-22.01,;24.13,-21.25,;22.8,-22.02,;22.81,-23.56,;21.47,-24.34,;20.13,-23.57,;20.13,-22.03,;18.8,-21.25,;21.47,-21.26,;21.46,-19.72,;22.8,-18.94,;22.79,-17.39,;21.45,-16.62,;20.13,-17.4,;18.66,-16.92,;17.75,-18.17,;16.21,-18.17,;15.44,-19.5,;16.21,-20.83,;15.45,-22.16,;13.9,-22.16,;13.13,-20.83,;13.9,-19.49,;11.59,-20.82,;10.82,-19.49,;11.98,-22.31,;10.24,-21.58,;18.66,-19.41,;20.12,-18.94,)|
Show InChI InChI=1S/C20H16FN3O4S/c1-27-17-10-4-8-15(21)18(17)14-7-3-9-16-19(14)28-20(24-16)23-12-5-2-6-13(11-12)29(22,25)26/h2-11H,1H3,(H,23,24)(H2,22,25,26)
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n/an/a 340n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021670
PNG
(CHEMBL3297840)
Show SMILES COc1cccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)c1 |(6.37,-11.94,;7.13,-10.6,;6.36,-9.27,;4.81,-9.27,;4.04,-7.94,;4.82,-6.6,;6.36,-6.61,;7.13,-5.28,;8.67,-5.28,;9.58,-4.03,;11.04,-4.51,;12.37,-3.74,;13.71,-4.5,;13.71,-6.05,;12.38,-6.82,;12.37,-8.36,;11.04,-9.13,;9.71,-8.36,;11.04,-10.67,;12.37,-11.44,;13.71,-10.66,;13.71,-9.13,;15.04,-8.35,;16.38,-9.11,;11.04,-6.05,;9.57,-6.53,;7.13,-7.94,)|
Show InChI InChI=1S/C21H17FN2O3/c1-25-14-7-3-6-13(12-14)23-21-24-17-10-4-8-15(20(17)27-21)19-16(22)9-5-11-18(19)26-2/h3-12H,1-2H3,(H,23,24)
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n/an/a 410n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50021658
PNG
(CHEMBL3298194)
Show SMILES COc1cc(Nc2nc3cccc(-c4cccc5[nH]cnc45)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C23H20N4O4/c1-28-18-10-13(11-19(29-2)22(18)30-3)26-23-27-17-9-5-7-15(21(17)31-23)14-6-4-8-16-20(14)25-12-24-16/h4-12H,1-3H3,(H,24,25)(H,26,27)
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n/an/a 460n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021671
PNG
(CHEMBL3298042)
Show SMILES CCOc1cccc(F)c1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12 |(22.28,-22.22,;20.95,-23,;19.61,-22.24,;18.28,-23.01,;18.29,-24.55,;16.95,-25.33,;15.61,-24.55,;15.61,-23.01,;14.28,-22.24,;16.95,-22.25,;16.94,-20.71,;18.28,-19.93,;18.27,-18.38,;16.94,-17.62,;15.61,-18.39,;14.15,-17.92,;13.24,-19.16,;11.7,-19.16,;10.93,-20.49,;11.7,-21.82,;10.93,-23.15,;11.7,-24.48,;10.94,-25.82,;9.38,-23.15,;8.61,-24.48,;7.07,-24.48,;8.61,-21.81,;7.07,-21.81,;6.31,-20.48,;9.39,-20.48,;14.14,-20.4,;15.61,-19.93,)|
Show InChI InChI=1S/C24H23FN2O5/c1-5-31-18-11-7-9-16(25)21(18)15-8-6-10-17-22(15)32-24(27-17)26-14-12-19(28-2)23(30-4)20(13-14)29-3/h6-13H,5H2,1-4H3,(H,26,27)
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n/an/a 490n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021672
PNG
(CHEMBL3298192)
Show SMILES COc1cc(Nc2nc3cccc(-c4nc(C)[nH]c4C)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C21H22N4O4/c1-11-18(23-12(2)22-11)14-7-6-8-15-19(14)29-21(25-15)24-13-9-16(26-3)20(28-5)17(10-13)27-4/h6-10H,1-5H3,(H,22,23)(H,24,25)
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n/an/a 560n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50021658
PNG
(CHEMBL3298194)
Show SMILES COc1cc(Nc2nc3cccc(-c4cccc5[nH]cnc45)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C23H20N4O4/c1-28-18-10-13(11-19(29-2)22(18)30-3)26-23-27-17-9-5-7-15(21(17)31-23)14-6-4-8-16-20(14)25-12-24-16/h4-12H,1-3H3,(H,24,25)(H,26,27)
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n/an/a 600n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of aurora A (unknown origin)


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021673
PNG
(CHEMBL3297843)
Show SMILES COc1cccc(F)c1-c1cccc2nc(NC3CCCCC3)oc12 |(17.2,-8.09,;15.86,-7.32,;14.53,-8.1,;14.54,-9.64,;13.2,-10.41,;11.86,-9.64,;11.87,-8.1,;10.53,-7.33,;13.2,-7.34,;13.2,-5.8,;14.54,-5.02,;14.53,-3.47,;13.2,-2.71,;11.87,-3.48,;10.4,-3.01,;9.5,-4.25,;7.96,-4.25,;7.18,-5.58,;5.64,-5.58,;4.87,-6.91,;5.64,-8.25,;7.19,-8.24,;7.95,-6.91,;10.4,-5.5,;11.86,-5.02,)|
Show InChI InChI=1S/C20H21FN2O2/c1-24-17-12-6-10-15(21)18(17)14-9-5-11-16-19(14)25-20(23-16)22-13-7-3-2-4-8-13/h5-6,9-13H,2-4,7-8H2,1H3,(H,22,23)
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n/an/a 620n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021674
PNG
(CHEMBL3297845)
Show SMILES COc1cccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)n1 |(6.31,-22.33,;7.08,-20.99,;6.3,-19.66,;4.75,-19.67,;3.99,-18.33,;4.76,-17,;6.3,-17,;7.07,-15.67,;8.61,-15.67,;9.52,-14.43,;10.98,-14.91,;12.31,-14.13,;13.64,-14.9,;13.65,-16.45,;12.31,-17.22,;12.31,-18.76,;10.98,-19.52,;9.65,-18.75,;10.98,-21.06,;12.31,-21.83,;13.65,-21.05,;13.64,-19.52,;14.97,-18.74,;16.31,-19.51,;10.98,-16.45,;9.51,-16.92,;7.07,-18.33,)|
Show InChI InChI=1S/C20H16FN3O3/c1-25-15-9-4-7-13(21)18(15)12-6-3-8-14-19(12)27-20(22-14)24-16-10-5-11-17(23-16)26-2/h3-11H,1-2H3,(H,22,23,24)
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n/an/a 620n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021675
PNG
(CHEMBL3297846)
Show SMILES CCOc1cccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)c1 |(7.08,-23.66,;6.31,-22.33,;7.08,-21,;6.3,-19.66,;4.75,-19.67,;3.99,-18.33,;4.76,-17,;6.3,-17,;7.07,-15.67,;8.61,-15.67,;9.52,-14.43,;10.98,-14.91,;12.31,-14.13,;13.64,-14.9,;13.65,-16.45,;12.31,-17.22,;12.31,-18.76,;10.98,-19.52,;9.65,-18.75,;10.98,-21.06,;12.31,-21.83,;13.65,-21.05,;13.64,-19.52,;14.97,-18.74,;16.31,-19.51,;10.98,-16.45,;9.51,-16.92,;7.07,-18.33,)|
Show InChI InChI=1S/C22H19FN2O3/c1-3-27-15-8-4-7-14(13-15)24-22-25-18-11-5-9-16(21(18)28-22)20-17(23)10-6-12-19(20)26-2/h4-13H,3H2,1-2H3,(H,24,25)
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n/an/a 730n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021658
PNG
(CHEMBL3298194)
Show SMILES COc1cc(Nc2nc3cccc(-c4cccc5[nH]cnc45)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C23H20N4O4/c1-28-18-10-13(11-19(29-2)22(18)30-3)26-23-27-17-9-5-7-15(21(17)31-23)14-6-4-8-16-20(14)25-12-24-16/h4-12H,1-3H3,(H,24,25)(H,26,27)
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n/an/a 800n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021676
PNG
(CHEMBL3298043)
Show SMILES COc1cc(Nc2nc3cccc(-c4c(F)cccc4OC(C)C)c3o2)cc(OC)c1OC |(10.96,-25.92,;11.73,-24.58,;10.95,-23.25,;11.72,-21.92,;10.95,-20.59,;11.72,-19.26,;13.26,-19.26,;14.17,-18.02,;15.63,-18.49,;16.96,-17.72,;18.29,-18.48,;18.3,-20.03,;16.96,-20.81,;16.97,-22.35,;15.64,-23.11,;14.3,-22.34,;15.64,-24.65,;16.97,-25.43,;18.31,-24.65,;18.3,-23.11,;19.63,-22.34,;20.97,-23.1,;22.3,-22.32,;20.98,-24.64,;15.63,-20.03,;14.16,-20.51,;9.41,-20.58,;8.64,-21.91,;7.1,-21.91,;6.33,-20.58,;9.41,-23.25,;8.64,-24.58,;7.1,-24.58,)|
Show InChI InChI=1S/C25H25FN2O5/c1-14(2)32-19-11-7-9-17(26)22(19)16-8-6-10-18-23(16)33-25(28-18)27-15-12-20(29-3)24(31-5)21(13-15)30-4/h6-14H,1-5H3,(H,27,28)
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n/an/a 970n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021677
PNG
(CHEMBL3297842)
Show SMILES COc1cccc(F)c1-c1cccc2nc(Nc3ccccc3)oc12 |(17.2,-8.09,;15.86,-7.32,;14.53,-8.1,;14.54,-9.64,;13.2,-10.41,;11.86,-9.64,;11.87,-8.1,;10.53,-7.33,;13.2,-7.34,;13.2,-5.8,;14.54,-5.02,;14.53,-3.47,;13.2,-2.71,;11.87,-3.48,;10.4,-3.01,;9.5,-4.25,;7.96,-4.25,;7.18,-5.58,;5.64,-5.58,;4.87,-6.91,;5.64,-8.25,;7.19,-8.24,;7.95,-6.91,;10.4,-5.5,;11.86,-5.02,)|
Show InChI InChI=1S/C20H15FN2O2/c1-24-17-12-6-10-15(21)18(17)14-9-5-11-16-19(14)25-20(23-16)22-13-7-3-2-4-8-13/h2-12H,1H3,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021678
PNG
(CHEMBL3298047)
Show SMILES COc1ccc(C)cc1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12
Show InChI InChI=1S/C24H24N2O5/c1-14-9-10-19(27-2)17(11-14)16-7-6-8-18-22(16)31-24(26-18)25-15-12-20(28-3)23(30-5)21(13-15)29-4/h6-13H,1-5H3,(H,25,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021679
PNG
(CHEMBL3298044)
Show SMILES COc1cccc(OC)c1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12 |(21.55,-22.88,;20.22,-22.11,;18.89,-22.89,;18.89,-24.42,;17.55,-25.2,;16.22,-24.43,;16.22,-22.89,;14.89,-22.12,;13.55,-22.89,;17.55,-22.13,;17.55,-20.58,;18.88,-19.81,;18.88,-18.26,;17.54,-17.49,;16.21,-18.27,;14.75,-17.79,;13.85,-19.03,;12.31,-19.03,;11.53,-20.37,;12.3,-21.69,;11.54,-23.02,;12.31,-24.36,;11.54,-25.69,;9.99,-23.03,;9.22,-24.36,;7.68,-24.36,;9.22,-21.69,;7.68,-21.69,;6.91,-20.35,;9.99,-20.36,;14.75,-20.28,;16.21,-19.81,)|
Show InChI InChI=1S/C24H24N2O6/c1-27-17-10-7-11-18(28-2)21(17)15-8-6-9-16-22(15)32-24(26-16)25-14-12-19(29-3)23(31-5)20(13-14)30-4/h6-13H,1-5H3,(H,25,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021680
PNG
(CHEMBL3297946)
Show SMILES COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1 |(11.58,-23.5,;13.13,-23.5,;13.9,-22.16,;13.13,-20.83,;13.9,-19.49,;15.44,-19.5,;16.21,-18.17,;17.75,-18.17,;18.66,-16.92,;20.13,-17.4,;21.45,-16.62,;22.79,-17.39,;22.8,-18.94,;21.46,-19.72,;21.47,-21.26,;20.13,-22.03,;18.8,-21.25,;20.13,-23.57,;21.47,-24.34,;22.81,-23.56,;22.8,-22.02,;24.13,-21.25,;25.47,-22.01,;20.12,-18.94,;18.66,-19.41,;16.21,-20.83,;15.45,-22.16,)|
Show InChI InChI=1S/C21H17FN2O3/c1-25-14-11-9-13(10-12-14)23-21-24-17-7-3-5-15(20(17)27-21)19-16(22)6-4-8-18(19)26-2/h3-12H,1-2H3,(H,23,24)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021660
PNG
(CHEMBL3297945)
Show SMILES COc1cc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc(OC)c1OC |(15.44,-24.81,;16.21,-23.48,;15.43,-22.15,;16.2,-20.81,;15.43,-19.49,;16.2,-18.15,;17.74,-18.16,;18.65,-16.91,;20.11,-17.39,;21.44,-16.61,;22.78,-17.38,;22.78,-18.93,;21.44,-19.7,;21.45,-21.25,;20.12,-22.01,;18.79,-21.24,;20.12,-23.55,;21.45,-24.32,;22.79,-23.54,;22.78,-22.01,;24.12,-21.23,;25.45,-22,;20.11,-18.93,;18.65,-19.4,;13.89,-19.48,;13.12,-20.81,;11.58,-20.81,;10.81,-19.47,;13.89,-22.15,;13.12,-23.48,;11.58,-23.48,)|
Show InChI InChI=1S/C23H21FN2O5/c1-27-17-10-6-8-15(24)20(17)14-7-5-9-16-21(14)31-23(26-16)25-13-11-18(28-2)22(30-4)19(12-13)29-3/h5-12H,1-4H3,(H,25,26)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021681
PNG
(CHEMBL3297841)
Show SMILES COc1cccc(F)c1-c1cccc2nc(N)oc12 |(16.32,-19.52,;14.99,-18.76,;13.65,-19.53,;13.66,-21.07,;12.32,-21.85,;10.98,-21.08,;10.99,-19.54,;9.65,-18.76,;12.32,-18.77,;12.32,-17.23,;13.66,-16.46,;13.65,-14.91,;12.32,-14.14,;10.99,-14.92,;9.52,-14.44,;8.62,-15.68,;7.08,-15.68,;9.52,-16.93,;10.99,-16.46,)|
Show InChI InChI=1S/C14H11FN2O2/c1-18-11-7-3-5-9(15)12(11)8-4-2-6-10-13(8)19-14(16)17-10/h2-7H,1H3,(H2,16,17)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021682
PNG
(CHEMBL3297844)
Show SMILES COc1cccc(F)c1-c1cccc2nc(NC3CCOCC3)oc12 |(17.2,-8.09,;15.86,-7.32,;14.53,-8.1,;14.54,-9.64,;13.2,-10.41,;11.86,-9.64,;11.87,-8.1,;10.53,-7.33,;13.2,-7.34,;13.2,-5.8,;14.54,-5.02,;14.53,-3.47,;13.2,-2.71,;11.87,-3.48,;10.4,-3.01,;9.5,-4.25,;7.96,-4.25,;7.18,-5.58,;5.64,-5.58,;4.87,-6.91,;5.64,-8.25,;7.19,-8.24,;7.95,-6.91,;10.4,-5.5,;11.86,-5.02,)|
Show InChI InChI=1S/C19H19FN2O3/c1-23-16-7-3-5-14(20)17(16)13-4-2-6-15-18(13)25-19(22-15)21-12-8-10-24-11-9-12/h2-7,12H,8-11H2,1H3,(H,21,22)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021662
PNG
(CHEMBL3298045)
Show SMILES COc1ccc(F)cc1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12
Show InChI InChI=1S/C23H21FN2O5/c1-27-18-9-8-13(24)10-16(18)15-6-5-7-17-21(15)31-23(26-17)25-14-11-19(28-2)22(30-4)20(12-14)29-3/h5-12H,1-4H3,(H,25,26)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021683
PNG
(CHEMBL3298041)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccc4OC(F)(F)F)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C23H19F3N2O5/c1-29-18-11-13(12-19(30-2)21(18)31-3)27-22-28-16-9-6-8-15(20(16)32-22)14-7-4-5-10-17(14)33-23(24,25)26/h4-12H,1-3H3,(H,27,28)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021664
PNG
(CHEMBL3298193)
Show SMILES COc1cc(Nc2nc3cccc(-c4cccc5cn[nH]c45)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C23H20N4O4/c1-28-18-10-14(11-19(29-2)22(18)30-3)25-23-26-17-9-5-8-16(21(17)31-23)15-7-4-6-13-12-24-27-20(13)15/h4-12H,1-3H3,(H,24,27)(H,25,26)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021661
PNG
(CHEMBL3298039)
Show SMILES COc1ccccc1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12
Show InChI InChI=1S/C23H22N2O5/c1-26-18-11-6-5-8-15(18)16-9-7-10-17-21(16)30-23(25-17)24-14-12-19(27-2)22(29-4)20(13-14)28-3/h5-13H,1-4H3,(H,24,25)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021659
PNG
(CHEMBL3297951)
Show SMILES COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1O[C@H]1CCNC1 |r,wU:28.31,(10.88,-23.43,;12.42,-23.43,;13.19,-22.09,;12.42,-20.76,;13.19,-19.42,;14.73,-19.43,;15.5,-18.1,;17.04,-18.1,;17.95,-16.86,;19.41,-17.33,;20.74,-16.56,;22.07,-17.32,;22.08,-18.87,;20.74,-19.65,;20.75,-21.19,;19.42,-21.96,;18.08,-21.18,;19.42,-23.49,;20.75,-24.27,;22.09,-23.49,;22.08,-21.95,;23.41,-21.18,;24.75,-21.94,;19.41,-18.87,;17.94,-19.35,;15.5,-20.76,;14.73,-22.09,;15.51,-23.42,;14.74,-24.76,;15.37,-26.16,;14.23,-27.2,;12.89,-26.43,;13.21,-24.92,)|
Show InChI InChI=1S/C25H24FN3O4/c1-30-20-10-9-15(13-22(20)32-16-11-12-27-14-16)28-25-29-19-7-3-5-17(24(19)33-25)23-18(26)6-4-8-21(23)31-2/h3-10,13,16,27H,11-12,14H2,1-2H3,(H,28,29)/t16-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021665
PNG
(CHEMBL3297948)
Show SMILES COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1OC |(11.58,-23.48,;13.12,-23.48,;13.89,-22.15,;13.12,-20.81,;13.89,-19.48,;15.43,-19.49,;16.2,-18.15,;17.74,-18.16,;18.65,-16.91,;20.11,-17.39,;21.44,-16.61,;22.78,-17.38,;22.78,-18.93,;21.45,-19.7,;21.45,-21.25,;20.12,-22.01,;18.79,-21.24,;20.12,-23.55,;21.45,-24.32,;22.79,-23.55,;22.79,-22.01,;24.12,-21.23,;25.45,-22,;20.11,-18.93,;18.65,-19.4,;16.2,-20.81,;15.44,-22.15,;16.21,-23.48,;15.44,-24.81,)|
Show InChI InChI=1S/C22H19FN2O4/c1-26-17-11-10-13(12-19(17)28-3)24-22-25-16-8-4-6-14(21(16)29-22)20-15(23)7-5-9-18(20)27-2/h4-12H,1-3H3,(H,24,25)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021684
PNG
(CHEMBL3298191)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccc4-c4cn[nH]c4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C25H22N4O4/c1-30-21-11-16(12-22(31-2)24(21)32-3)28-25-29-20-10-6-9-19(23(20)33-25)18-8-5-4-7-17(18)15-13-26-27-14-15/h4-14H,1-3H3,(H,26,27)(H,28,29)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021663
PNG
(CHEMBL3298046)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(C)cc4OC)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C24H24N2O5/c1-14-9-10-16(19(11-14)27-2)17-7-6-8-18-22(17)31-24(26-18)25-15-12-20(28-3)23(30-5)21(13-15)29-4/h6-13H,1-5H3,(H,25,26)
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n/an/a 9.70E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021671
PNG
(CHEMBL3298042)
Show SMILES CCOc1cccc(F)c1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12 |(22.28,-22.22,;20.95,-23,;19.61,-22.24,;18.28,-23.01,;18.29,-24.55,;16.95,-25.33,;15.61,-24.55,;15.61,-23.01,;14.28,-22.24,;16.95,-22.25,;16.94,-20.71,;18.28,-19.93,;18.27,-18.38,;16.94,-17.62,;15.61,-18.39,;14.15,-17.92,;13.24,-19.16,;11.7,-19.16,;10.93,-20.49,;11.7,-21.82,;10.93,-23.15,;11.7,-24.48,;10.94,-25.82,;9.38,-23.15,;8.61,-24.48,;7.07,-24.48,;8.61,-21.81,;7.07,-21.81,;6.31,-20.48,;9.39,-20.48,;14.14,-20.4,;15.61,-19.93,)|
Show InChI InChI=1S/C24H23FN2O5/c1-5-31-18-11-7-9-16(25)21(18)15-8-6-10-17-22(15)32-24(27-17)26-14-12-19(28-2)23(30-4)20(13-14)29-3/h6-13H,5H2,1-4H3,(H,26,27)
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n/an/a 1.08E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021678
PNG
(CHEMBL3298047)
Show SMILES COc1ccc(C)cc1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12
Show InChI InChI=1S/C24H24N2O5/c1-14-9-10-19(27-2)17(11-14)16-7-6-8-18-22(16)31-24(26-18)25-15-12-20(28-3)23(30-5)21(13-15)29-4/h6-13H,1-5H3,(H,25,26)
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n/an/a 1.45E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021670
PNG
(CHEMBL3297840)
Show SMILES COc1cccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)c1 |(6.37,-11.94,;7.13,-10.6,;6.36,-9.27,;4.81,-9.27,;4.04,-7.94,;4.82,-6.6,;6.36,-6.61,;7.13,-5.28,;8.67,-5.28,;9.58,-4.03,;11.04,-4.51,;12.37,-3.74,;13.71,-4.5,;13.71,-6.05,;12.38,-6.82,;12.37,-8.36,;11.04,-9.13,;9.71,-8.36,;11.04,-10.67,;12.37,-11.44,;13.71,-10.66,;13.71,-9.13,;15.04,-8.35,;16.38,-9.11,;11.04,-6.05,;9.57,-6.53,;7.13,-7.94,)|
Show InChI InChI=1S/C21H17FN2O3/c1-25-14-7-3-6-13(12-14)23-21-24-17-10-4-8-15(20(17)27-21)19-16(22)9-5-11-18(19)26-2/h3-12H,1-2H3,(H,23,24)
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n/an/a 1.54E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021666
PNG
(CHEMBL3297947)
Show SMILES COc1cc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc(OC)c1 |(10.81,-19.47,;11.58,-20.81,;13.12,-20.81,;13.89,-19.48,;15.43,-19.49,;16.2,-18.15,;17.74,-18.16,;18.65,-16.91,;20.11,-17.39,;21.44,-16.61,;22.78,-17.38,;22.78,-18.93,;21.45,-19.7,;21.45,-21.25,;20.12,-22.01,;18.79,-21.24,;20.12,-23.55,;21.45,-24.32,;22.79,-23.55,;22.79,-22.01,;24.12,-21.23,;25.45,-22,;20.11,-18.93,;18.65,-19.4,;16.2,-20.81,;15.44,-22.15,;16.21,-23.48,;15.44,-24.81,;13.89,-22.15,)|
Show InChI InChI=1S/C22H19FN2O4/c1-26-14-10-13(11-15(12-14)27-2)24-22-25-18-8-4-6-16(21(18)29-22)20-17(23)7-5-9-19(20)28-3/h4-12H,1-3H3,(H,24,25)
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n/an/a 1.72E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021668
PNG
(CHEMBL3298040)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccc4F)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C22H19FN2O4/c1-26-18-11-13(12-19(27-2)21(18)28-3)24-22-25-17-10-6-8-15(20(17)29-22)14-7-4-5-9-16(14)23/h4-12H,1-3H3,(H,24,25)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021672
PNG
(CHEMBL3298192)
Show SMILES COc1cc(Nc2nc3cccc(-c4nc(C)[nH]c4C)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C21H22N4O4/c1-11-18(23-12(2)22-11)14-7-6-8-15-19(14)29-21(25-15)24-13-9-16(26-3)20(28-5)17(10-13)27-4/h6-10H,1-5H3,(H,22,23)(H,24,25)
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n/an/a 1.98E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021681
PNG
(CHEMBL3297841)
Show SMILES COc1cccc(F)c1-c1cccc2nc(N)oc12 |(16.32,-19.52,;14.99,-18.76,;13.65,-19.53,;13.66,-21.07,;12.32,-21.85,;10.98,-21.08,;10.99,-19.54,;9.65,-18.76,;12.32,-18.77,;12.32,-17.23,;13.66,-16.46,;13.65,-14.91,;12.32,-14.14,;10.99,-14.92,;9.52,-14.44,;8.62,-15.68,;7.08,-15.68,;9.52,-16.93,;10.99,-16.46,)|
Show InChI InChI=1S/C14H11FN2O2/c1-18-11-7-3-5-9(15)12(11)8-4-2-6-10-13(8)19-14(16)17-10/h2-7H,1H3,(H2,16,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021667
PNG
(CHEMBL3297950)
Show SMILES COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1N |(11.58,-23.49,;13.12,-23.49,;13.89,-22.16,;13.12,-20.82,;13.9,-19.49,;15.44,-19.49,;16.21,-18.16,;17.75,-18.16,;18.66,-16.92,;20.12,-17.4,;21.45,-16.62,;22.78,-17.38,;22.79,-18.93,;21.45,-19.71,;21.46,-21.25,;20.13,-22.02,;18.79,-21.25,;20.12,-23.56,;21.46,-24.33,;22.8,-23.55,;22.79,-22.02,;24.12,-21.24,;25.46,-22,;20.12,-18.94,;18.65,-19.41,;16.21,-20.82,;15.44,-22.15,;16.21,-23.49,)|
Show InChI InChI=1S/C21H18FN3O3/c1-26-17-10-9-12(11-15(17)23)24-21-25-16-7-3-5-13(20(16)28-21)19-14(22)6-4-8-18(19)27-2/h3-11H,23H2,1-2H3,(H,24,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021675
PNG
(CHEMBL3297846)
Show SMILES CCOc1cccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)c1 |(7.08,-23.66,;6.31,-22.33,;7.08,-21,;6.3,-19.66,;4.75,-19.67,;3.99,-18.33,;4.76,-17,;6.3,-17,;7.07,-15.67,;8.61,-15.67,;9.52,-14.43,;10.98,-14.91,;12.31,-14.13,;13.64,-14.9,;13.65,-16.45,;12.31,-17.22,;12.31,-18.76,;10.98,-19.52,;9.65,-18.75,;10.98,-21.06,;12.31,-21.83,;13.65,-21.05,;13.64,-19.52,;14.97,-18.74,;16.31,-19.51,;10.98,-16.45,;9.51,-16.92,;7.07,-18.33,)|
Show InChI InChI=1S/C22H19FN2O3/c1-3-27-15-8-4-7-14(13-15)24-22-25-18-11-5-9-16(21(18)28-22)20-17(23)10-6-12-19(20)26-2/h4-13H,3H2,1-2H3,(H,24,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021682
PNG
(CHEMBL3297844)
Show SMILES COc1cccc(F)c1-c1cccc2nc(NC3CCOCC3)oc12 |(17.2,-8.09,;15.86,-7.32,;14.53,-8.1,;14.54,-9.64,;13.2,-10.41,;11.86,-9.64,;11.87,-8.1,;10.53,-7.33,;13.2,-7.34,;13.2,-5.8,;14.54,-5.02,;14.53,-3.47,;13.2,-2.71,;11.87,-3.48,;10.4,-3.01,;9.5,-4.25,;7.96,-4.25,;7.18,-5.58,;5.64,-5.58,;4.87,-6.91,;5.64,-8.25,;7.19,-8.24,;7.95,-6.91,;10.4,-5.5,;11.86,-5.02,)|
Show InChI InChI=1S/C19H19FN2O3/c1-23-16-7-3-5-14(20)17(16)13-4-2-6-15-18(13)25-19(22-15)21-12-8-10-24-11-9-12/h2-7,12H,8-11H2,1H3,(H,21,22)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021677
PNG
(CHEMBL3297842)
Show SMILES COc1cccc(F)c1-c1cccc2nc(Nc3ccccc3)oc12 |(17.2,-8.09,;15.86,-7.32,;14.53,-8.1,;14.54,-9.64,;13.2,-10.41,;11.86,-9.64,;11.87,-8.1,;10.53,-7.33,;13.2,-7.34,;13.2,-5.8,;14.54,-5.02,;14.53,-3.47,;13.2,-2.71,;11.87,-3.48,;10.4,-3.01,;9.5,-4.25,;7.96,-4.25,;7.18,-5.58,;5.64,-5.58,;4.87,-6.91,;5.64,-8.25,;7.19,-8.24,;7.95,-6.91,;10.4,-5.5,;11.86,-5.02,)|
Show InChI InChI=1S/C20H15FN2O2/c1-24-17-12-6-10-15(21)18(17)14-9-5-11-16-19(14)25-20(23-16)22-13-7-3-2-4-8-13/h2-12H,1H3,(H,22,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021673
PNG
(CHEMBL3297843)
Show SMILES COc1cccc(F)c1-c1cccc2nc(NC3CCCCC3)oc12 |(17.2,-8.09,;15.86,-7.32,;14.53,-8.1,;14.54,-9.64,;13.2,-10.41,;11.86,-9.64,;11.87,-8.1,;10.53,-7.33,;13.2,-7.34,;13.2,-5.8,;14.54,-5.02,;14.53,-3.47,;13.2,-2.71,;11.87,-3.48,;10.4,-3.01,;9.5,-4.25,;7.96,-4.25,;7.18,-5.58,;5.64,-5.58,;4.87,-6.91,;5.64,-8.25,;7.19,-8.24,;7.95,-6.91,;10.4,-5.5,;11.86,-5.02,)|
Show InChI InChI=1S/C20H21FN2O2/c1-24-17-12-6-10-15(21)18(17)14-9-5-11-16-19(14)25-20(23-16)22-13-7-3-2-4-8-13/h5-6,9-13H,2-4,7-8H2,1H3,(H,22,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021669
PNG
(CHEMBL3297949)
Show SMILES COc1cccc(F)c1-c1cccc2nc(Nc3cccc(c3)S(N)(=O)=O)oc12 |(25.47,-22.01,;24.13,-21.25,;22.8,-22.02,;22.81,-23.56,;21.47,-24.34,;20.13,-23.57,;20.13,-22.03,;18.8,-21.25,;21.47,-21.26,;21.46,-19.72,;22.8,-18.94,;22.79,-17.39,;21.45,-16.62,;20.13,-17.4,;18.66,-16.92,;17.75,-18.17,;16.21,-18.17,;15.44,-19.5,;16.21,-20.83,;15.45,-22.16,;13.9,-22.16,;13.13,-20.83,;13.9,-19.49,;11.59,-20.82,;10.82,-19.49,;11.98,-22.31,;10.24,-21.58,;18.66,-19.41,;20.12,-18.94,)|
Show InChI InChI=1S/C20H16FN3O4S/c1-27-17-10-4-8-15(21)18(17)14-7-3-9-16-19(14)28-20(24-16)23-12-5-2-6-13(11-12)29(22,25)26/h2-11H,1H3,(H,23,24)(H2,22,25,26)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021680
PNG
(CHEMBL3297946)
Show SMILES COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1 |(11.58,-23.5,;13.13,-23.5,;13.9,-22.16,;13.13,-20.83,;13.9,-19.49,;15.44,-19.5,;16.21,-18.17,;17.75,-18.17,;18.66,-16.92,;20.13,-17.4,;21.45,-16.62,;22.79,-17.39,;22.8,-18.94,;21.46,-19.72,;21.47,-21.26,;20.13,-22.03,;18.8,-21.25,;20.13,-23.57,;21.47,-24.34,;22.81,-23.56,;22.8,-22.02,;24.13,-21.25,;25.47,-22.01,;20.12,-18.94,;18.66,-19.41,;16.21,-20.83,;15.45,-22.16,)|
Show InChI InChI=1S/C21H17FN2O3/c1-25-14-11-9-13(10-12-14)23-21-24-17-7-3-5-15(20(17)27-21)19-16(22)6-4-8-18(19)26-2/h3-12H,1-2H3,(H,23,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021683
PNG
(CHEMBL3298041)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccc4OC(F)(F)F)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C23H19F3N2O5/c1-29-18-11-13(12-19(30-2)21(18)31-3)27-22-28-16-9-6-8-15(20(16)32-22)14-7-4-5-10-17(14)33-23(24,25)26/h4-12H,1-3H3,(H,27,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021684
PNG
(CHEMBL3298191)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccc4-c4cn[nH]c4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C25H22N4O4/c1-30-21-11-16(12-22(31-2)24(21)32-3)28-25-29-20-10-6-9-19(23(20)33-25)18-8-5-4-7-17(18)15-13-26-27-14-15/h4-14H,1-3H3,(H,26,27)(H,28,29)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021676
PNG
(CHEMBL3298043)
Show SMILES COc1cc(Nc2nc3cccc(-c4c(F)cccc4OC(C)C)c3o2)cc(OC)c1OC |(10.96,-25.92,;11.73,-24.58,;10.95,-23.25,;11.72,-21.92,;10.95,-20.59,;11.72,-19.26,;13.26,-19.26,;14.17,-18.02,;15.63,-18.49,;16.96,-17.72,;18.29,-18.48,;18.3,-20.03,;16.96,-20.81,;16.97,-22.35,;15.64,-23.11,;14.3,-22.34,;15.64,-24.65,;16.97,-25.43,;18.31,-24.65,;18.3,-23.11,;19.63,-22.34,;20.97,-23.1,;22.3,-22.32,;20.98,-24.64,;15.63,-20.03,;14.16,-20.51,;9.41,-20.58,;8.64,-21.91,;7.1,-21.91,;6.33,-20.58,;9.41,-23.25,;8.64,-24.58,;7.1,-24.58,)|
Show InChI InChI=1S/C25H25FN2O5/c1-14(2)32-19-11-7-9-17(26)22(19)16-8-6-10-18-23(16)33-25(28-18)27-15-12-20(29-3)24(31-5)21(13-15)30-4/h6-14H,1-5H3,(H,27,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021674
PNG
(CHEMBL3297845)
Show SMILES COc1cccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)n1 |(6.31,-22.33,;7.08,-20.99,;6.3,-19.66,;4.75,-19.67,;3.99,-18.33,;4.76,-17,;6.3,-17,;7.07,-15.67,;8.61,-15.67,;9.52,-14.43,;10.98,-14.91,;12.31,-14.13,;13.64,-14.9,;13.65,-16.45,;12.31,-17.22,;12.31,-18.76,;10.98,-19.52,;9.65,-18.75,;10.98,-21.06,;12.31,-21.83,;13.65,-21.05,;13.64,-19.52,;14.97,-18.74,;16.31,-19.51,;10.98,-16.45,;9.51,-16.92,;7.07,-18.33,)|
Show InChI InChI=1S/C20H16FN3O3/c1-25-15-9-4-7-13(21)18(15)12-6-3-8-14-19(12)27-20(22-14)24-16-10-5-11-17(23-16)26-2/h3-11H,1-2H3,(H,22,23,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50021679
PNG
(CHEMBL3298044)
Show SMILES COc1cccc(OC)c1-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12 |(21.55,-22.88,;20.22,-22.11,;18.89,-22.89,;18.89,-24.42,;17.55,-25.2,;16.22,-24.43,;16.22,-22.89,;14.89,-22.12,;13.55,-22.89,;17.55,-22.13,;17.55,-20.58,;18.88,-19.81,;18.88,-18.26,;17.54,-17.49,;16.21,-18.27,;14.75,-17.79,;13.85,-19.03,;12.31,-19.03,;11.53,-20.37,;12.3,-21.69,;11.54,-23.02,;12.31,-24.36,;11.54,-25.69,;9.99,-23.03,;9.22,-24.36,;7.68,-24.36,;9.22,-21.69,;7.68,-21.69,;6.91,-20.35,;9.99,-20.36,;14.75,-20.28,;16.21,-19.81,)|
Show InChI InChI=1S/C24H24N2O6/c1-27-17-10-7-11-18(28-2)21(17)15-8-6-9-16-22(15)32-24(26-16)25-14-12-19(29-3)23(31-5)20(13-14)30-4/h6-13H,1-5H3,(H,25,26)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay


Bioorg Med Chem Lett 24: 1592-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.058
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%