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Compile Data Set for Download or QSAR

Found 9 hits of ic50 for monomerid = 50111384   
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))
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



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Histidine-tagged RSK2 using biotin-AGAGRSRHSSYPAGT-OH as substrate preincubated for 30 mins followed by ATP and subst...


J Med Chem 58: 6766-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00450
BindingDB Entry DOI: 10.7270/Q21C1ZN6
More data for this
Ligand-Target Pair
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 4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of RSK2 (unknown origin)


Bioorg Med Chem Lett 28: 3197-3201 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.020
BindingDB Entry DOI: 10.7270/Q2F76G78
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
PDB
MMDB

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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant His-tagged human RSK1 expressed in baculovirus expression system using biotin-labelled AGAGRSRHSSYPAGT-OH as su...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00969
BindingDB Entry DOI: 10.7270/Q2WD44DC
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 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant His-tagged human RSK2 expressed in baculovirus expression system using biotin-labelled AGAGRSRHSSYPAGT-OH as su...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00969
BindingDB Entry DOI: 10.7270/Q2WD44DC
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))
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 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant GST-tagged human RSK3 expressed in insect cell using biotin-labelled AGAGRSRHSSYPAGT-OH as substrate in presenc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00969
BindingDB Entry DOI: 10.7270/Q2WD44DC
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
PDB
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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 RSK2 (unknown origin) assessed as reduction in YB1 transmembrane phosphorylation


Bioorg Med Chem Lett 28: 3197-3201 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.020
BindingDB Entry DOI: 10.7270/Q2F76G78
More data for this
Ligand-Target Pair