BindingDB logo
myBDB logout

PubMed code 22464132

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))
BDBM50381078
PNG
(CHEMBL2017518)
Show SMILES C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OCC(C)=O)[C@H]1OCC(C)=O |r|
Show InChI InChI=1S/C27H28O12/c1-12(28)10-35-23-14(3)37-27(22(34)25(23)36-11-13(2)29)39-26-21(33)20-18(32)8-17(31)9-19(20)38-24(26)15-4-6-16(30)7-5-15/h4-9,14,22-23,25,27,30-31,33-34H,10-11H2,1-3H3/t14-,22+,23-,25-,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 252n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of His-tagged RSK2 expressed in Sf9 cells using ERalpha-Ser167 RLASTND as substrate after 120 mins by chemiluminescence assay


Bioorg Med Chem Lett 22: 3244-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.033
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50381083
PNG
(CHEMBL2017522)
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(=O)N2CCCC2)[C@H]1OC(=O)N1CCCC1 |r|
Show InChI InChI=1S/C31H34N2O12/c1-16-25(44-30(39)32-10-2-3-11-32)28(45-31(40)33-12-4-5-13-33)24(38)29(41-16)43-27-23(37)22-20(36)14-19(35)15-21(22)42-26(27)17-6-8-18(34)9-7-17/h6-9,14-16,24-25,28-29,34-35,37-38H,2-5,10-13H2,1H3/t16-,24+,25-,28-,29-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 356n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of His-tagged RSK2 expressed in Sf9 cells using ERalpha-Ser167 RLASTND as substrate after 120 mins by chemiluminescence assay


Bioorg Med Chem Lett 22: 3244-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.033
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50381082
PNG
(CHEMBL2017521)
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(=O)N(C)C)[C@H]1OC(=O)N(C)C |r|
Show InChI InChI=1S/C27H30N2O12/c1-12-21(40-26(35)28(2)3)24(41-27(36)29(4)5)20(34)25(37-12)39-23-19(33)18-16(32)10-15(31)11-17(18)38-22(23)13-6-8-14(30)9-7-13/h6-12,20-21,24-25,30-31,33-34H,1-5H3/t12-,20+,21-,24-,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 493n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of His-tagged RSK2 expressed in Sf9 cells using ERalpha-Ser167 RLASTND as substrate after 120 mins by chemiluminescence assay


Bioorg Med Chem Lett 22: 3244-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.033
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 583n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of His-tagged RSK2 expressed in Sf9 cells using ERalpha-Ser167 RLASTND as substrate after 120 mins by chemiluminescence assay


Bioorg Med Chem Lett 22: 3244-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.033
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50381080
PNG
(CHEMBL2017519)
Show SMILES CCCNC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H]1OC(=O)NCCC |r|
Show InChI InChI=1S/C29H34N2O12/c1-4-10-30-28(37)42-23-14(3)39-27(22(36)26(23)43-29(38)31-11-5-2)41-25-21(35)20-18(34)12-17(33)13-19(20)40-24(25)15-6-8-16(32)9-7-15/h6-9,12-14,22-23,26-27,32-33,35-36H,4-5,10-11H2,1-3H3,(H,30,37)(H,31,38)/t14-,22+,23-,26-,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 869n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of His-tagged RSK2 expressed in Sf9 cells using ERalpha-Ser167 RLASTND as substrate after 120 mins by chemiluminescence assay


Bioorg Med Chem Lett 22: 3244-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.033
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50381079
PNG
(CHEMBL2017517)
Show SMILES CCNC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H]1OC(=O)NCC |r|
Show InChI InChI=1S/C27H30N2O12/c1-4-28-26(35)40-21-12(3)37-25(20(34)24(21)41-27(36)29-5-2)39-23-19(33)18-16(32)10-15(31)11-17(18)38-22(23)13-6-8-14(30)9-7-13/h6-12,20-21,24-25,30-31,33-34H,4-5H2,1-3H3,(H,28,35)(H,29,36)/t12-,20+,21-,24-,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.13E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of His-tagged RSK2 expressed in Sf9 cells using ERalpha-Ser167 RLASTND as substrate after 120 mins by chemiluminescence assay


Bioorg Med Chem Lett 22: 3244-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.033
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50381084
PNG
(CHEMBL2017523)
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(=O)N2CCOCC2)[C@H]1OC(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C31H34N2O14/c1-16-25(46-30(39)32-6-10-41-11-7-32)28(47-31(40)33-8-12-42-13-9-33)24(38)29(43-16)45-27-23(37)22-20(36)14-19(35)15-21(22)44-26(27)17-2-4-18(34)5-3-17/h2-5,14-16,24-25,28-29,34-35,37-38H,6-13H2,1H3/t16-,24+,25-,28-,29-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.43E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of His-tagged RSK2 expressed in Sf9 cells using ERalpha-Ser167 RLASTND as substrate after 120 mins by chemiluminescence assay


Bioorg Med Chem Lett 22: 3244-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.033
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50381081
PNG
(CHEMBL2017520)
Show SMILES CCC(C)NC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H]1OC(=O)NC(C)CC |r|
Show InChI InChI=1S/C31H38N2O12/c1-6-14(3)32-30(39)44-25-16(5)41-29(24(38)28(25)45-31(40)33-15(4)7-2)43-27-23(37)22-20(36)12-19(35)13-21(22)42-26(27)17-8-10-18(34)11-9-17/h8-16,24-25,28-29,34-35,37-38H,6-7H2,1-5H3,(H,32,39)(H,33,40)/t14?,15?,16-,24+,25-,28-,29-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.92E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of His-tagged RSK2 expressed in Sf9 cells using ERalpha-Ser167 RLASTND as substrate after 120 mins by chemiluminescence assay


Bioorg Med Chem Lett 22: 3244-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.033
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
* indicates data uncertainty>20%