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PubMed code 17259979

Compile data set for download or QSAR
Found 5 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))
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/a 15n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged RSK2 C-terminal domian expressed in Escherichia coli after 30 mins


Nat Chem Biol 3: 156-60 (2007)


Article DOI: 10.1038/nchembio859
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50324685
PNG
(2-(3-(4-amino-6-(2-fluoroacetyl)-5-p-tolyl-7H-pyrr...)
Show SMILES Cc1ccc(cc1)-c1c(C(=O)CF)n(CCCNCC#N)c2ncnc(N)c12
Show InChI InChI=1S/C20H21FN6O/c1-13-3-5-14(6-4-13)16-17-19(23)25-12-26-20(17)27(18(16)15(28)11-21)10-2-8-24-9-7-22/h3-6,12,24H,2,8-11H2,1H3,(H2,23,25,26)
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged RSK2 C-terminal domian expressed in Escherichia coli after 30 mins


Nat Chem Biol 3: 156-60 (2007)


Article DOI: 10.1038/nchembio859
More data for this
Ligand-Target Pair
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/a 1.70E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged RSK2 C-terminal domian expressed in Escherichia coli after 30 mins


Nat Chem Biol 3: 156-60 (2007)


Article DOI: 10.1038/nchembio859
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
More data for this
Ligand-Target Pair
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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PubMed
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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%