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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase (P70S6K)' and Ligand = 'BDBM224447'   
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 (P70S6K)


(Homo sapiens (Human))
BDBM224447
PNG
(US10080750, Compound 124 | US9321760, 124 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2cccc(F)c2F)c1-c1cn[nH]c1
Show InChI InChI=1S/C22H26F2N8/c23-17-4-1-3-16(20(17)24)18(13-30-5-2-6-30)31-7-9-32(10-8-31)22-19(15-11-28-29-12-15)21(25)26-14-27-22/h1,3-4,11-12,14,18H,2,5-10,13H2,(H,28,29)(H2,25,26,27)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.40E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224447
PNG
(US10080750, Compound 124 | US9321760, 124 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2cccc(F)c2F)c1-c1cn[nH]c1
Show InChI InChI=1S/C22H26F2N8/c23-17-4-1-3-16(20(17)24)18(13-30-5-2-6-30)31-7-9-32(10-8-31)22-19(15-11-28-29-12-15)21(25)26-14-27-22/h1,3-4,11-12,14,18H,2,5-10,13H2,(H,28,29)(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.40E+3n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9321760 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D2R
More data for this
Ligand-Target Pair