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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 = 'BDBM224455'   
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))
BDBM224455
PNG
(US10080750, Compound 132 | US9321760, 132 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(Cl)c(c2)C(F)(F)F)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H26ClF3N8/c24-18-3-2-15(10-17(18)23(25,26)27)19(13-33-4-1-5-33)34-6-8-35(9-7-34)22-20(16-11-31-32-12-16)21(28)29-14-30-22/h2-3,10-12,14,19H,1,4-9,13H2,(H,31,32)(H2,28,29,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+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))
BDBM224455
PNG
(US10080750, Compound 132 | US9321760, 132 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(Cl)c(c2)C(F)(F)F)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H26ClF3N8/c24-18-3-2-15(10-17(18)23(25,26)27)19(13-33-4-1-5-33)34-6-8-35(9-7-34)22-20(16-11-31-32-12-16)21(28)29-14-30-22/h2-3,10-12,14,19H,1,4-9,13H2,(H,31,32)(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+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