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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase alpha-3' and Ligand = 'BDBM30298'   
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))
BDBM30298
PNG
(indole-based 7-membered lactam, 23a)
Show SMILES O=C(Nc1cccnc1)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C18H16N4O2/c23-17(21-14-3-1-6-19-11-14)13-5-4-12-9-16-18(24)20-7-2-8-22(16)15(12)10-13/h1,3-6,9-11H,2,7-8H2,(H,20,24)(H,21,23)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 240n/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))
BDBM30298
PNG
(indole-based 7-membered lactam, 23a)
Show SMILES O=C(Nc1cccnc1)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C18H16N4O2/c23-17(21-14-3-1-6-19-11-14)13-5-4-12-9-16-18(24)20-7-2-8-22(16)15(12)10-13/h1,3-6,9-11H,2,7-8H2,(H,20,24)(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.94E+3n/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