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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 = 'BDBM224550'   
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))
BDBM224550
PNG
(US10080750, Compound 233 | US9321760, 233 | US9662...)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(N)(CC1)C(=O)N[C@@H](CCO)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H26F3N7O3/c22-21(23,24)13-3-1-12(2-4-13)14(5-10-32)30-19(34)20(27)6-8-31(9-7-20)18-15(17(26)33)16(25)28-11-29-18/h1-4,11,14,32H,5-10,27H2,(H2,26,33)(H,30,34)(H2,25,28,29)/t14-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.10E+4n/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))
BDBM224550
PNG
(US10080750, Compound 233 | US9321760, 233 | US9662...)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(N)(CC1)C(=O)N[C@@H](CCO)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H26F3N7O3/c22-21(23,24)13-3-1-12(2-4-13)14(5-10-32)30-19(34)20(27)6-8-31(9-7-20)18-15(17(26)33)16(25)28-11-29-18/h1-4,11,14,32H,5-10,27H2,(H2,26,33)(H,30,34)(H2,25,28,29)/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.10E+4n/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