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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-5' and Ligand = 'BDBM24996'   
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-5


(Homo sapiens (Human))
BDBM24996
PNG
(4-{1-ethyl-7-[(piperidin-4-ylamino)methyl]-1H-imid...)
Show SMILES CCn1c(nc2cncc(CNC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H22N8O/c1-2-24-14-10(8-20-11-3-5-18-6-4-11)7-19-9-12(14)21-16(24)13-15(17)23-25-22-13/h7,9,11,18,20H,2-6,8H2,1H3,(H2,17,23)
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Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against MSK-1


Bioorg Med Chem Lett 15: 3407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.020
BindingDB Entry DOI: 10.7270/Q2S75FVN
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-5


(Homo sapiens (Human))
BDBM24996
PNG
(4-{1-ethyl-7-[(piperidin-4-ylamino)methyl]-1H-imid...)
Show SMILES CCn1c(nc2cncc(CNC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H22N8O/c1-2-24-14-10(8-20-11-3-5-18-6-4-11)7-19-9-12(14)21-16(24)13-15(17)23-25-22-13/h7,9,11,18,20H,2-6,8H2,1H3,(H2,17,23)
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n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-5


(Homo sapiens (Human))
BDBM24996
PNG
(4-{1-ethyl-7-[(piperidin-4-ylamino)methyl]-1H-imid...)
Show SMILES CCn1c(nc2cncc(CNC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H22N8O/c1-2-24-14-10(8-20-11-3-5-18-6-4-11)7-19-9-12(14)21-16(24)13-15(17)23-25-22-13/h7,9,11,18,20H,2-6,8H2,1H3,(H2,17,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair