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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase (P70S6K)' and Ligand = 'BDBM224392'   
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))
BDBM224392
PNG
(US10080750, Compound 69 | US9321760, 69 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2cccc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C21H26BrF3N6/c22-18-19(26)27-14-28-20(18)31-10-8-30(9-11-31)17(13-29-6-1-2-7-29)15-4-3-5-16(12-15)21(23,24)25/h3-5,12,14,17H,1-2,6-11,13H2,(H2,26,27,28)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224392
PNG
(US10080750, Compound 69 | US9321760, 69 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2cccc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C21H26BrF3N6/c22-18-19(26)27-14-28-20(18)31-10-8-30(9-11-31)17(13-29-6-1-2-7-29)15-4-3-5-16(12-15)21(23,24)25/h3-5,12,14,17H,1-2,6-11,13H2,(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+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))
BDBM224392
PNG
(US10080750, Compound 69 | US9321760, 69 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2cccc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C21H26BrF3N6/c22-18-19(26)27-14-28-20(18)31-10-8-30(9-11-31)17(13-29-6-1-2-7-29)15-4-3-5-16(12-15)21(23,24)25/h3-5,12,14,17H,1-2,6-11,13H2,(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+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