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PubMed code 23519677

Compile data set for download or QSAR
Found 8 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))
BDBM50426389
PNG
(CHEMBL2321925)
Show SMILES CCC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C27H28O12/c1-4-5-18-24(35-12(2)28)26(36-13(3)29)22(34)27(38-18)39-25-21(33)20-17(32)10-16(31)11-19(20)37-23(25)14-6-8-15(30)9-7-14/h6-11,18,22,24,26-27,30-31,33-34H,4-5H2,1-3H3/t18-,22+,24-,26-,27-/m0/s1
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PubMed
n/an/a 20n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using u...


ACS Med Chem Lett 4: 175-179 (2012)


Article DOI: 10.1021/ml300298v
BindingDB Entry DOI: 10.7270/Q2668FHP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50426392
PNG
(CHEMBL2326706)
Show SMILES CC(C)C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H26O10/c1-10(2)7-16-18(28)20(30)21(31)24(33-16)34-23-19(29)17-14(27)8-13(26)9-15(17)32-22(23)11-3-5-12(25)6-4-11/h3-6,8-10,16,18,20-21,24-26,28-31H,7H2,1-2H3/t16-,18-,20+,21+,24-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using u...


ACS Med Chem Lett 4: 175-179 (2012)


Article DOI: 10.1021/ml300298v
BindingDB Entry DOI: 10.7270/Q2668FHP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50426390
PNG
(CHEMBL2326708)
Show SMILES CCC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C27H28O12/c1-4-5-18-24(35-12(2)28)22(34)26(36-13(3)29)27(38-18)39-25-21(33)20-17(32)10-16(31)11-19(20)37-23(25)14-6-8-15(30)9-7-14/h6-11,18,22,24,26-27,30-31,33-34H,4-5H2,1-3H3/t18-,22+,24-,26+,27-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using u...


ACS Med Chem Lett 4: 175-179 (2012)


Article DOI: 10.1021/ml300298v
BindingDB Entry DOI: 10.7270/Q2668FHP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50426393
PNG
(CHEMBL2326705)
Show SMILES CCC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C23H24O10/c1-2-3-14-17(27)19(29)20(30)23(32-14)33-22-18(28)16-13(26)8-12(25)9-15(16)31-21(22)10-4-6-11(24)7-5-10/h4-9,14,17,19-20,23-25,27-30H,2-3H2,1H3/t14-,17-,19+,20+,23-/m0/s1
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n/an/a 710n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using u...


ACS Med Chem Lett 4: 175-179 (2012)


Article DOI: 10.1021/ml300298v
BindingDB Entry DOI: 10.7270/Q2668FHP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50241294
PNG
(CHEMBL240954 | SL-0101 | kaempferol 3-O-(3'',4''-d...)
Show SMILES C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-29,31-32H,1-3H3/t10-,20+,21-,24-,25-/m0/s1
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n/an/a 990n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using u...


ACS Med Chem Lett 4: 175-179 (2012)


Article DOI: 10.1021/ml300298v
BindingDB Entry DOI: 10.7270/Q2668FHP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50426391
PNG
(CHEMBL2326707)
Show SMILES CCC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C25H26O11/c1-3-4-16-23(33-11(2)26)20(31)21(32)25(35-16)36-24-19(30)18-15(29)9-14(28)10-17(18)34-22(24)12-5-7-13(27)8-6-12/h5-10,16,20-21,23,25,27-28,30-32H,3-4H2,1-2H3/t16-,20-,21+,23-,25-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using u...


ACS Med Chem Lett 4: 175-179 (2012)


Article DOI: 10.1021/ml300298v
BindingDB Entry DOI: 10.7270/Q2668FHP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50426394
PNG
(CHEMBL2326704)
Show SMILES CC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H22O10/c1-2-13-16(26)18(28)19(29)22(31-13)32-21-17(27)15-12(25)7-11(24)8-14(15)30-20(21)9-3-5-10(23)6-4-9/h3-8,13,16,18-19,22-24,26-29H,2H2,1H3/t13-,16-,18+,19+,22-/m0/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using u...


ACS Med Chem Lett 4: 175-179 (2012)


Article DOI: 10.1021/ml300298v
BindingDB Entry DOI: 10.7270/Q2668FHP
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50426388
PNG
(CHEMBL2326709)
Show SMILES CCC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C29H30O13/c1-5-6-20-25(37-13(2)30)27(38-14(3)31)28(39-15(4)32)29(41-20)42-26-23(36)22-19(35)11-18(34)12-21(22)40-24(26)16-7-9-17(33)10-8-16/h7-12,20,25,27-29,33-34,36H,5-6H2,1-4H3/t20-,25-,27+,28+,29-/m0/s1
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n/an/a 1.77E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using u...


ACS Med Chem Lett 4: 175-179 (2012)


Article DOI: 10.1021/ml300298v
BindingDB Entry DOI: 10.7270/Q2668FHP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%