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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase alpha-1/alpha-2/alpha-3/alpha-4/alpha-5/alpha-6/beta-1/beta-2'   
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-1/alpha-2/alpha-3/alpha-4/alpha-5/alpha-6/beta-1/beta-2


(Homo sapiens (Human))
BDBM50463479
PNG
(CHEMBL4249925)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25)
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC sid
PDB
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Article
PubMed
100n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p70S6K (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1/alpha-2/alpha-3/alpha-4/alpha-5/alpha-6/beta-1/beta-2


(Homo sapiens (Human))
BDBM50532181
PNG
(CHEMBL4474690)
Show SMILES COc1cc(ccc1OCc1ccc(cc1)C1CC1)C1CN(C1)C(=O)c1cc(COC[C@@H](O)CO)ccn1 |r|
Show InChI InChI=1S/C30H34N2O6/c1-36-29-13-24(8-9-28(29)38-18-20-2-4-22(5-3-20)23-6-7-23)25-14-32(15-25)30(35)27-12-21(10-11-31-27)17-37-19-26(34)16-33/h2-5,8-13,23,25-26,33-34H,6-7,14-19H2,1H3/t26-/m0/s1
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KEGG

UniProtKB/SwissProt

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MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length N-terminal His-tagged p70S6K expressed in baculovirus infected Sf21 insect cells using CKRRRLASLR as substrate


Bioorg Med Chem Lett 29: 873-877 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.006
BindingDB Entry DOI: 10.7270/Q22F7RXK
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1/alpha-2/alpha-3/alpha-4/alpha-5/alpha-6/beta-1/beta-2


(Homo sapiens (Human))
BDBM50460772
PNG
(CHEMBL4225923)
Show SMILES Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1
Show InChI InChI=1S/C23H25N9S/c1-14-13-32-18(15-10-26-27-11-15)12-25-22(32)21(28-14)29-19-9-17(31-33-19)20(30-23(2,3)4)16-7-5-6-8-24-16/h5-13,20,30H,1-4H3,(H,26,27)(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of S6K (unknown origin)


Bioorg Med Chem Lett 28: 1397-1403 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.037
BindingDB Entry DOI: 10.7270/Q2K35X91
More data for this
Ligand-Target Pair