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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase alpha-3' and Ligand = 'BDBM50360288'   
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))
BDBM50360288
PNG
(CHEMBL1933148 | US9150577, 23)
Show SMILES Cn1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)cn1
Show InChI InChI=1S/C17H17N5O2/c1-21-10-13(9-19-21)20-16(23)12-4-3-11-7-15-17(24)18-5-2-6-22(15)14(11)8-12/h3-4,7-10H,2,5-6H2,1H3,(H,18,24)(H,20,23)
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n/an/a 11n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RSK2 phosphorylation by luminescence assay


Bioorg Med Chem Lett 22: 733-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.030
BindingDB Entry DOI: 10.7270/Q2XW4K7N
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50360288
PNG
(CHEMBL1933148 | US9150577, 23)
Show SMILES Cn1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)cn1
Show InChI InChI=1S/C17H17N5O2/c1-21-10-13(9-19-21)20-16(23)12-4-3-11-7-15-17(24)18-5-2-6-22(15)14(11)8-12/h3-4,7-10H,2,5-6H2,1H3,(H,18,24)(H,20,23)
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n/an/a 11n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50360288
PNG
(CHEMBL1933148 | US9150577, 23)
Show SMILES Cn1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)cn1
Show InChI InChI=1S/C17H17N5O2/c1-21-10-13(9-19-21)20-16(23)12-4-3-11-7-15-17(24)18-5-2-6-22(15)14(11)8-12/h3-4,7-10H,2,5-6H2,1H3,(H,18,24)(H,20,23)
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PubMed
n/an/a 790n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2-mediated CREB phosphorylation in HLR-CREB cells by cell based assay


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50360288
PNG
(CHEMBL1933148 | US9150577, 23)
Show SMILES Cn1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)cn1
Show InChI InChI=1S/C17H17N5O2/c1-21-10-13(9-19-21)20-16(23)12-4-3-11-7-15-17(24)18-5-2-6-22(15)14(11)8-12/h3-4,7-10H,2,5-6H2,1H3,(H,18,24)(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

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Article
PubMed
n/an/a 790n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RSK2-mediated CREB phosphorylation in HeLa cells expressing luciferase reporter gene


Bioorg Med Chem Lett 22: 733-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.030
BindingDB Entry DOI: 10.7270/Q2XW4K7N
More data for this
Ligand-Target Pair