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Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'backos' and Initial = 'ds'   
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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105838
PNG
(FENOBAM)
Show SMILES CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1 |c:5|
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)
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32n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105838
PNG
(FENOBAM)
Show SMILES CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1 |c:5|
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)
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33n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50450061
PNG
(CHEMBL4166199)
Show SMILES Cc1ccc(cc1)-n1nc(C)c2conc2c1=O
Show InChI InChI=1S/C13H11N3O2/c1-8-3-5-10(6-4-8)16-13(17)12-11(7-18-15-12)9(2)14-16/h3-7H,1-2H3
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1.88E+3n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50450078
PNG
(CHEMBL4167825)
Show SMILES Cc1nn(-c2cc(Cl)cc(Cl)c2)c(=O)c2nocc12
Show InChI InChI=1S/C12H7Cl2N3O2/c1-6-10-5-19-16-11(10)12(18)17(15-6)9-3-7(13)2-8(14)4-9/h2-5H,1H3
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3.08E+3n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50450077
PNG
(CHEMBL4164391)
Show SMILES Cc1nn(-c2ccc(cc2)[N+]([O-])=O)c(=O)c2nocc12
Show InChI InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-2-4-9(5-3-8)16(18)19/h2-6H,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50450076
PNG
(CHEMBL4163974)
Show SMILES Cc1nn(-c2ccc(F)cc2F)c(=O)c2nocc12
Show InChI InChI=1S/C12H7F2N3O2/c1-6-8-5-19-16-11(8)12(18)17(15-6)10-3-2-7(13)4-9(10)14/h2-5H,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50450074
PNG
(CHEMBL4171187)
Show SMILES COc1ccc(cc1)-n1nc(C)c2conc2c1=O
Show InChI InChI=1S/C13H11N3O3/c1-8-11-7-19-15-12(11)13(17)16(14-8)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50450060
PNG
(CHEMBL4172276)
Show SMILES Cc1nn(-c2cccc(c2)[N+]([O-])=O)c(=O)c2nocc12
Show InChI InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-3-2-4-9(5-8)16(18)19/h2-6H,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50450059
PNG
(CHEMBL4160584)
Show SMILES Cc1nn(-c2ccc(F)cc2)c(=O)c2nocc12
Show InChI InChI=1S/C12H8FN3O2/c1-7-10-6-18-15-11(10)12(17)16(14-7)9-4-2-8(13)3-5-9/h2-6H,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50450075
PNG
(CHEMBL4174628)
Show SMILES Cc1nn(-c2ccccc2)c(=O)c2nocc12
Show InChI InChI=1S/C12H9N3O2/c1-8-10-7-17-14-11(10)12(16)15(13-8)9-5-3-2-4-6-9/h2-7H,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM25017
PNG
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)
Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12
Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)
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n/an/a 3n/an/an/an/an/an/a



University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115303
BindingDB Entry DOI: 10.7270/Q2XW4PCP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM25017
PNG
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)
Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12
Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of RSK2 (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115303
BindingDB Entry DOI: 10.7270/Q2XW4PCP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosomal protein S6 kinase alpha-2


(Homo sapiens (Human))
BDBM50111384
PNG
(CHEMBL3604794)
Show SMILES Oc1c(F)cc(cc1F)-c1cnccc1-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2
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n/an/a 4n/an/an/an/an/an/a



University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of RSK3 (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115303
BindingDB Entry DOI: 10.7270/Q2XW4PCP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50111384
PNG
(CHEMBL3604794)
Show SMILES Oc1c(F)cc(cc1F)-c1cnccc1-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2
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n/an/a 5n/an/an/an/an/an/a



University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of RSK2 (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115303
BindingDB Entry DOI: 10.7270/Q2XW4PCP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM50111384
PNG
(CHEMBL3604794)
Show SMILES Oc1c(F)cc(cc1F)-c1cnccc1-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H18F2N2O2/c22-19-11-15(12-20(23)21(19)26)18-13-24-6-5-17(18)14-1-3-16(4-2-14)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10H2
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n/an/a 6n/an/an/an/an/an/a



University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115303
BindingDB Entry DOI: 10.7270/Q2XW4PCP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2


(Homo sapiens (Human))
BDBM25017
PNG
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)
Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12
Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)
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n/an/a 13n/an/an/an/an/an/a



University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of RSK3 (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115303
BindingDB Entry DOI: 10.7270/Q2XW4PCP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-6


(Homo sapiens (Human))
BDBM25017
PNG
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)
Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12
Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)
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n/an/a 15n/an/an/an/an/an/a



University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of RSK4 (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK a substrate by [32P] gammaATP assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115303
BindingDB Entry DOI: 10.7270/Q2XW4PCP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50568111
PNG
(CHEMBL4878141 | US11851436, Compound A1-12)
Show SMILES COC(=O)CCc1ccc(cc1)-n1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116220
BindingDB Entry DOI: 10.7270/Q2H70KKB
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50564453
PNG
(CHEMBL4794096)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C#N)c1C
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50568112
PNG
(CHEMBL4851452)
Show SMILES COC(=O)CCCc1ccc(cc1)-n1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116220
BindingDB Entry DOI: 10.7270/Q2H70KKB
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50568106
PNG
(CHEMBL4849660 | US11851436, Compound A1-4)
Show SMILES Oc1c(F)cc(Nc2ncc3ncn(-c4ccc(CCN5CCOCC5)cc4)c3n2)cc1F
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TBA

Assay Description
Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116220
BindingDB Entry DOI: 10.7270/Q2H70KKB
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2


(Homo sapiens (Human))
BDBM25017
PNG
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)
Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12
Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)
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University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of RSK3 (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK a substrate by [32P] gammaATP assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115303
BindingDB Entry DOI: 10.7270/Q2XW4PCP
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50564457
PNG
(CHEMBL4800500)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCO)cc23)c1C
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TBA

Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM25017
PNG
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)
Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12
Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)
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TBA

Assay Description
Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116220
BindingDB Entry DOI: 10.7270/Q2H70KKB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM25017
PNG
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)
Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12
Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)
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University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of RSK2 (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK a substrate by [32P] gammaATP assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115303
BindingDB Entry DOI: 10.7270/Q2XW4PCP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50568105
PNG
(CHEMBL4858455 | US11851436, Compound A1-3)
Show SMILES Oc1c(F)cc(Nc2ncc3ncn(-c4ccc(cc4)N4CCOCC4)c3n2)cc1F
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TBA

Assay Description
Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116220
BindingDB Entry DOI: 10.7270/Q2H70KKB
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50568114
PNG
(CHEMBL4857399)
Show SMILES Oc1c(F)cc(Nc2ncc3ccn(-c4ccc(cc4)N4CCOCC4)c3n2)cc1F
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Assay Description
Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116220
BindingDB Entry DOI: 10.7270/Q2H70KKB
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM25017
PNG
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)
Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12
Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)
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University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK a substrate by [32P] gammaATP assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115303
BindingDB Entry DOI: 10.7270/Q2XW4PCP
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50564458
PNG
(CHEMBL4788376)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCC#N)cc23)c1C
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n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50568115
PNG
(CHEMBL4864190)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1ccc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
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TBA

Assay Description
Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116220
BindingDB Entry DOI: 10.7270/Q2H70KKB
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50564448
PNG
(CHEMBL4788980)
Show SMILES CCN(CC)CCCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
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TBA

Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50564449
PNG
(CHEMBL4779166)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(F)ccc23)c1C
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Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM4817
PNG
(N-[2-(dimethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo...)
Show SMILES CN(C)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C20H23FN4O2/c1-11-17(23-12(2)18(11)20(27)22-7-8-25(3)4)10-15-14-9-13(21)5-6-16(14)24-19(15)26/h5-6,9-10,23H,7-8H2,1-4H3,(H,22,27)(H,24,26)/b15-10-
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Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50568104
PNG
(CHEMBL4858257 | US11851436, Compound A1-2)
Show SMILES CC(C)CCn1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
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TBA

Assay Description
Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116220
BindingDB Entry DOI: 10.7270/Q2H70KKB
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50564459
PNG
(CHEMBL4781578)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCC(N)=O)cc23)c1C
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TBA

Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50564446
PNG
(CHEMBL3542344)
Show SMILES CCNCCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
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Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50564450
PNG
(CHEMBL4786972)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(Cl)ccc23)c1C
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Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50564447
PNG
(CHEMBL4799580)
Show SMILES CN(C)CCCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
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Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50568109
PNG
(CHEMBL4861235 | US11851436, Compound A1-10)
Show SMILES Oc1cccc(c1)-n1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
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Assay Description
Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116220
BindingDB Entry DOI: 10.7270/Q2H70KKB
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50568110
PNG
(CHEMBL4865383 | US11851436, Compound A1-11)
Show SMILES Oc1ccc(cc1)-n1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
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Assay Description
Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116220
BindingDB Entry DOI: 10.7270/Q2H70KKB
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50564451
PNG
(CHEMBL4782796)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(Br)ccc23)c1C
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Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50564454
PNG
(CHEMBL4792246)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CNC(N)=O)cc23)c1C
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Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM4813
PNG
(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-{[(3Z)-2-...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C22H28N4O2/c1-5-26(6-2)12-11-23-22(28)20-14(3)19(24-15(20)4)13-17-16-9-7-8-10-18(16)25-21(17)27/h7-10,13,24H,5-6,11-12H2,1-4H3,(H,23,28)(H,25,27)/b17-13-
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Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM50564453
PNG
(CHEMBL4794096)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C#N)c1C
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Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50568113
PNG
(CHEMBL4873445)
Show SMILES CC(C)CCn1ccc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
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Assay Description
Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116220
BindingDB Entry DOI: 10.7270/Q2H70KKB
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50564455
PNG
(CHEMBL4781062)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCOC)cc23)c1C
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 97n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50564462
PNG
(CHEMBL4796639)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCN=[N+]=[N-])cc23)c1C
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 101n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM50564459
PNG
(CHEMBL4781578)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCC(N)=O)cc23)c1C
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 107n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2


(Homo sapiens (Human))
BDBM50564461
PNG
(CHEMBL4795330)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCNC(C)=O)cc23)c1C
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 108n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112316
BindingDB Entry DOI: 10.7270/Q2348Q5W
More data for this
Ligand-Target Pair
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