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PubMed code 25589938

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))
BDBM50044091
PNG
(CHEMBL3356435)
Show SMILES C[C@@H]1C[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1/C26H26O11/c1-11-8-19(21(32)25(35-13(3)28)23(11)34-12(2)27)37-26-22(33)20-17(31)9-16(30)10-18(20)36-24(26)14-4-6-15(29)7-5-14/h4-7,9-11,19,21,23,25,29-32H,8H2,1-3H3/t11-,19-,21+,23+,25+/s2
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PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of RSK2 (unknown origin) assessed as phosphorylation by Western lightning enhanced chemiluminescent reagent/HRP activity assay


ACS Med Chem Lett 6: 95-9 (2015)


Article DOI: 10.1021/ml5004525
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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CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of RSK2 (unknown origin) assessed as phosphorylation by Western lightning enhanced chemiluminescent reagent/HRP activity assay


ACS Med Chem Lett 6: 95-9 (2015)


Article DOI: 10.1021/ml5004525
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50044090
PNG
(CHEMBL3356437)
Show SMILES C[C@@H]1C[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OC(C)=O |r|
Show InChI InChI=1/C24H24O10/c1-10-7-17(19(29)21(31)22(10)32-11(2)25)34-24-20(30)18-15(28)8-14(27)9-16(18)33-23(24)12-3-5-13(26)6-4-12/h3-6,8-10,17,19,21-22,26-29,31H,7H2,1-2H3/t10-,17-,19+,21+,22+/s2
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n/an/a 1.23E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of RSK2 (unknown origin) assessed as phosphorylation by Western lightning enhanced chemiluminescent reagent/HRP activity assay


ACS Med Chem Lett 6: 95-9 (2015)


Article DOI: 10.1021/ml5004525
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50044089
PNG
(CHEMBL3356439)
Show SMILES C[C@@H]1C[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O |r|
Show InChI InChI=1/C26H26O11/c1-11-8-19(25(35-13(3)28)22(33)23(11)34-12(2)27)37-26-21(32)20-17(31)9-16(30)10-18(20)36-24(26)14-4-6-15(29)7-5-14/h4-7,9-11,19,22-23,25,29-31,33H,8H2,1-3H3/t11-,19-,22-,23+,25+/s2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of RSK2 (unknown origin) assessed as phosphorylation by Western lightning enhanced chemiluminescent reagent/HRP activity assay


ACS Med Chem Lett 6: 95-9 (2015)


Article DOI: 10.1021/ml5004525
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50044088
PNG
(CHEMBL3356441)
Show SMILES CC(=O)O[C@H]1CC[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1/C25H24O11/c1-11(26)33-18-8-7-17(21(31)24(18)34-12(2)27)35-25-22(32)20-16(30)9-15(29)10-19(20)36-23(25)13-3-5-14(28)6-4-13/h3-6,9-10,17-18,21,24,28-31H,7-8H2,1-2H3/t17-,18+,21+,24-/s2
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n/an/a 8.93E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of RSK2 (unknown origin) assessed as phosphorylation by Western lightning enhanced chemiluminescent reagent/HRP activity assay


ACS Med Chem Lett 6: 95-9 (2015)


Article DOI: 10.1021/ml5004525
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%