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Compile Data Set for Download or QSAR

Found 9 hits of ec50 for UniProtKB: P51812   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50568115
PNG
(CHEMBL4864190)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1ccc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
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n/an/an/an/a 70n/an/an/an/a


TBA

Assay Description
Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS 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))
BDBM50248765
PNG
(1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...)
Show SMILES Cc1ccc(cc1)-c1c(C(=O)CF)n(CCCO)c2ncnc(N)c12
Show InChI InChI=1S/C18H19FN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)
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Article
PubMed
n/an/an/an/a 150n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of PMA-stimulated RSK2 phosphorylation in HEK293 cells after 1 hr by western blotting analysis


Nat Chem Biol 3: 156-60 (2007)


Article DOI: 10.1038/nchembio859
BindingDB Entry DOI: 10.7270/Q22B8Z60
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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n/an/an/an/a 230n/an/an/an/a


TBA

Assay Description
Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS 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))
BDBM50568104
PNG
(CHEMBL4858257 | US11851436, Compound A1-2)
Show SMILES CC(C)CCn1cnc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
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n/an/an/an/a 970n/an/an/an/a


TBA

Assay Description
Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS 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))
BDBM50568113
PNG
(CHEMBL4873445)
Show SMILES CC(C)CCn1ccc2cnc(Nc3cc(F)c(O)c(F)c3)nc12
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n/an/an/an/a 1.30E+3n/an/an/an/a


TBA

Assay Description
Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS 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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n/an/an/an/a 1.90E+3n/an/an/an/a


TBA

Assay Description
Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS 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))
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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MCE
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n/an/an/an/a 2.60E+3n/an/an/an/a


TBA

Assay Description
Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS 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))
BDBM50324684
PNG
(3-(1-(4-amino-6-(2-fluoroacetyl)-5-p-tolyl-7H-pyrr...)
Show SMILES C[C+]1C=C(C)C2=Cc3ccc(CCC(=O)NCCCCCC(=O)NCCCCNC(=O)OCCCn4c(C(=O)CF)c(-c5ccc(C)cc5)c5c(N)ncnc45)n3[B-](F)(F)C12 |t:2,5|
Show InChI InChI=1S/C44H54BF3N8O5/c1-28-11-13-31(14-12-28)38-39-42(49)53-27-54-43(39)55(41(38)35(57)26-46)22-9-23-61-44(60)52-21-8-7-20-50-36(58)10-5-4-6-19-51-37(59)18-17-32-15-16-33-25-34-29(2)24-30(3)40(34)45(47,48)56(32)33/h11-16,24-25,27,40H,4-10,17-23,26H2,1-3H3,(H,50,58)(H,51,59)(H,52,60)(H2,49,53,54)
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n/an/an/an/a 1.00E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of PMA-stimulated RSK2 phosphorylation in HEK293 cells after 1 hr by western blotting analysis


Nat Chem Biol 3: 156-60 (2007)


Article DOI: 10.1038/nchembio859
BindingDB Entry DOI: 10.7270/Q22B8Z60
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
PDB
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n/an/an/an/a 1.39E+4n/an/an/an/a


TBA

Assay Description
Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS 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