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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase beta-1' and Ligand = 'BDBM50380933'   
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 beta-1


(Homo sapiens (Human))
BDBM50380933
PNG
(CHEMBL2012699)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN4CCCC4)c3C)c12
Show InChI InChI=1S/C24H33ClN8/c1-3-19-22-23(30-29-19)27-16-28-24(22)33-12-10-32(11-13-33)21-15-18(25)14-20(17(21)2)26-6-9-31-7-4-5-8-31/h14-16,26H,3-13H2,1-2H3,(H,27,28,29,30)
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PubMed
n/an/a 3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay


Bioorg Med Chem Lett 22: 2693-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.011
BindingDB Entry DOI: 10.7270/Q2WD41MT
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))
BDBM50380933
PNG
(CHEMBL2012699)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN4CCCC4)c3C)c12
Show InChI InChI=1S/C24H33ClN8/c1-3-19-22-23(30-29-19)27-16-28-24(22)33-12-10-32(11-13-33)21-15-18(25)14-20(17(21)2)26-6-9-31-7-4-5-8-31/h14-16,26H,3-13H2,1-2H3,(H,27,28,29,30)
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Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of p70S6K-mediated ribosomal protein S6 phosphorylation in human A549 cells after 3 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 2693-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.011
BindingDB Entry DOI: 10.7270/Q2WD41MT
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))
BDBM50380933
PNG
(CHEMBL2012699)
Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN4CCCC4)c3C)c12
Show InChI InChI=1S/C24H33ClN8/c1-3-19-22-23(30-29-19)27-16-28-24(22)33-12-10-32(11-13-33)21-15-18(25)14-20(17(21)2)26-6-9-31-7-4-5-8-31/h14-16,26H,3-13H2,1-2H3,(H,27,28,29,30)
PDB
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KEGG

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UniChem

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Article
PubMed
n/an/a 832n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of p70S6K-mediated ribosomal protein S6 phosphorylation in human PC3 cells after 3 hrs by chemiluminescence assay


Bioorg Med Chem Lett 22: 2693-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.011
BindingDB Entry DOI: 10.7270/Q2WD41MT
More data for this
Ligand-Target Pair